4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(3-chlorophenyl)-1-piperazinyl]-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(3-chlorophenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(3-chlorophenyl)piperazino]-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C17H17ClN2OS MolecularWeight: 332.84768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=C3C=CC(=O)C=C3)S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=C3C=CC(=O)C=C3)S

InChI

InChI=1S/C17H17ClN2OS/c18-14-2-1-3-15(12-14)19-8-10-20(11-9-19)17(22)13-4-6-16(21)7-5-13/h1-7,12,22H,8-11H2