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

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-3-[(phenylmethylsulfanyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-(5-chloro-2-methoxyphenyl)-3-[(phenylmethylthio)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(benzylthio)methyl]-4-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Formula: C17H16ClN3OS2 MolecularWeight: 377.91144

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CSCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NNC2=S)CSCC3=CC=CC=C3

InChI

InChI=1S/C17H16ClN3OS2/c1-22-15-8-7-13(18)9-14(15)21-16(19-20-17(21)23)11-24-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,20,23)