5-(3-chlorophenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole hydrochloride

Systemtic Name: 5-(3-chlorophenyl)-3-(phenylmethylsulfanyl)-1H-1,2,4-triazole hydrochloride Openeye Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-1H-1,2,4-triazole hydrochloride CAS Name: 5-(3-chlorophenyl)-3-(phenylmethylthio)-1H-1,2,4-triazole hydrochloride IUPAC Name: 3-benzylsulfanyl-5-(3-chlorophenyl)-1H-1,2,4-triazole hydrochloride Traditional Name: 3-(benzylthio)-5-(3-chlorophenyl)-1H-1,2,4-triazole hydrochloride Formula: C15H13Cl2N3S MolecularWeight: 338.25482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC(=CC=C3)Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC(=CC=C3)Cl.Cl

InChI

InChI=1S/C15H12ClN3S.ClH/c16-13-8-4-7-12(9-13)14-17-15(19-18-14)20-10-11-5-2-1-3-6-11;/h1-9H,10H2,(H,17,18,19);1H