Name: Name:2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
Brand: Angene
SKU: AG01A0PX
Rating: 90 (10 reviews)

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

CAS No.:

893726-22-2

Catalog Number:

AG01A0PX

Molecular Formula:

C20H23N5OS

Molecular Weight:

381.4945

Catalog Number:

AG01A0PX

Chemical Name:

2-{[5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

CAS Number:

893726-22-2

Molecular Formula:

C20H23N5OS

Molecular Weight:

381.4945

MDL Number:

MFCD07364288

IUPAC Name:

2-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide

InChI:

InChI=1S/C20H23N5OS/c1-20(2,3)15-11-9-14(10-12-15)18-23-24-19(27-13-17(26)22-21)25(18)16-7-5-4-6-8-16/h4-12H,13,21H2,1-3H3,(H,22,26)

InChI Key:

SSWOZPAJPMDHKJ-UHFFFAOYSA-N

SMILES:

NNC(=O)CSc1nnc(n1c1ccccc1)c1ccc(cc1)C(C)(C)C

Complexity:

483

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

381.162g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

381.498g/mol

Monoisotopic Mass:

381.162g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

111A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.9