3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-4-phenyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-4-phenyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-4-phenyl-1H-1,2,4-triazol-5-one Formula: C16H12ClN3O2S MolecularWeight: 345.80338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)NN=C2SCC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H12ClN3O2S/c17-12-8-6-11(7-9-12)14(21)10-23-16-19-18-15(22)20(16)13-4-2-1-3-5-13/h1-9H,10H2,(H,18,22)