Name: Name:3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(3-methoxyphenyl)-4-phenyl-
Brand: Angene
SKU: AG001ZRS
Rating: 90 (10 reviews)

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(3-methoxyphenyl)-4-phenyl-

CAS No.:

174573-90-1

Catalog Number:

AG001ZRS

Molecular Formula:

C15H13N3OS

Molecular Weight:

283.3482

Catalog Number:

AG001ZRS

Chemical Name:

3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(3-methoxyphenyl)-4-phenyl-

CAS Number:

174573-90-1

Molecular Formula:

C15H13N3OS

Molecular Weight:

283.3482

MDL Number:

MFCD00423358

IUPAC Name:

3-(3-methoxyphenyl)-4-phenyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C15H13N3OS/c1-19-13-9-5-6-11(10-13)14-16-17-15(20)18(14)12-7-3-2-4-8-12/h2-10H,1H3,(H,17,20)

InChI Key:

BZWWZZJEHWWCAE-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)c1n[nH]c(=S)n1c1ccccc1

Complexity:

393

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.349g/mol

Monoisotopic Mass:

283.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2