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

Systemtic Name: 4-[[4-(3-methylphenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(m-tolyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-[4-(3-methylphenyl)-1-piperazinyl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(3-methylphenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-[4-(m-tolyl)piperazino]methylene]cyclohexa-2,5-dien-1-one Formula: C18H20N2OS MolecularWeight: 312.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=C3C=CC(=O)C=C3)S

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=C3C=CC(=O)C=C3)S

InChI

InChI=1S/C18H20N2OS/c1-14-3-2-4-16(13-14)19-9-11-20(12-10-19)18(22)15-5-7-17(21)8-6-15/h2-8,13,22H,9-12H2,1H3