1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C16H12ClN3OS MolecularWeight: 329.80398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3OS/c17-13-8-6-11(7-9-13)14(21)10-22-16-18-15(19-20-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,18,19,20)