1-[3-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone

Systemtic Name: 1-[3-(4-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-1-yl]ethanone Openeye Name: 1-[5-benzylsulfanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanone CAS Name: 1-[3-(4-chlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-1-yl]ethanone IUPAC Name: 1-[5-benzylsulfanyl-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanone Traditional Name: 1-[5-(benzylthio)-3-(4-chlorophenyl)-1,2,4-triazol-1-yl]ethanone Formula: C17H14ClN3OS MolecularWeight: 343.83056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1C(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C17H14ClN3OS/c1-12(22)21-17(23-11-13-5-3-2-4-6-13)19-16(20-21)14-7-9-15(18)10-8-14/h2-10H,11H2,1H3