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

Systemtic Name: 4-(2-methoxy-5-methyl-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(2-methoxy-5-methyl-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(2-methoxy-5-methylphenyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(2-methoxy-5-methylphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(2-methoxy-5-methyl-phenyl)-1H-1,2,4-triazole-5-thione Formula: C18H19N3OS2 MolecularWeight: 357.49296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3OS2/c1-13-8-9-16(22-2)15(10-13)21-17(19-20-18(21)23)12-24-11-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,23)