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

Systemtic Name: 4-(5-chloranyl-2-methoxy-phenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxy-phenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-(5-chloro-2-methoxyphenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 5-(benzylsulfanylmethyl)-4-(5-chloro-2-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 5-[(benzylthio)methyl]-4-(5-chloro-2-methoxy-phenyl)-1,2,4-triazole-3-thiolate Formula: C17H15ClN3OS2- MolecularWeight: 376.9035

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=NN=C2[S-])CSCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=NN=C2[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)/p-1