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

Systemtic Name: 3-(2-chlorophenyl)-1-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 5-benzylsulfanyl-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole CAS Name: 3-(2-chlorophenyl)-1-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 5-benzylsulfanyl-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole Traditional Name: 5-(benzylthio)-3-(2-chlorophenyl)-1-methyl-1,2,4-triazole Formula: C16H14ClN3S MolecularWeight: 315.82046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC(=N1)C2=CC=CC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

CN1C(=NC(=N1)C2=CC=CC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C16H14ClN3S/c1-20-16(21-11-12-7-3-2-4-8-12)18-15(19-20)13-9-5-6-10-14(13)17/h2-10H,11H2,1H3