3-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[1-(3-chlorophenyl)-1-oxidanylidene-propan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[2-(3-chlorophenyl)-1-methyl-2-oxo-ethyl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[1-(3-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3-chlorophenyl)-2-keto-1-methyl-ethyl]thio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)C1=CC(=CC=C1)Cl)SC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C19H18ClN3O2S/c1-13(17(24)15-8-5-9-16(20)12-15)26-19-22-21-18(25)23(19)11-10-14-6-3-2-4-7-14/h2-9,12-13H,10-11H2,1H3,(H,21,25)