Name: Name:5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A0MF
Rating: 90 (10 reviews)

5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

73216-27-0

Catalog Number:

AG01A0MF

Molecular Formula:

C17H16ClN3O2S

Molecular Weight:

361.8458

Catalog Number:

AG01A0MF

Chemical Name:

5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

73216-27-0

Molecular Formula:

C17H16ClN3O2S

Molecular Weight:

361.8458

MDL Number:

MFCD07364198

IUPAC Name:

3-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C17H16ClN3O2S/c1-2-22-14-9-5-13(6-10-14)21-16(19-20-17(21)24)11-23-15-7-3-12(18)4-8-15/h3-10H,2,11H2,1H3,(H,20,24)

InChI Key:

DCEVOGDKJPIIDN-UHFFFAOYSA-N

SMILES:

CCOc1ccc(cc1)n1c(nnc1S)COc1ccc(cc1)Cl

Complexity:

461

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

361.065g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

361.844g/mol

Monoisotopic Mass:

361.065g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.2