4-(3,4-dimethylphenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(3,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dimethylphenyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(3,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(3,4-dimethylphenyl)-1H-1,2,4-triazole-5-thione Formula: C18H19N3S2 MolecularWeight: 341.49356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=S)CSCC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3S2/c1-13-8-9-16(10-14(13)2)21-17(19-20-18(21)22)12-23-11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,22)