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

Systemtic Name: 4-[[4-(2-methylphenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(o-tolyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-[4-(2-methylphenyl)-1-piperazinyl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(2-methylphenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-[4-(o-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=C1N2CCN(CC2)C(=C3C=CC(=O)C=C3)S

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=C3C=CC(=O)C=C3)S

InChI

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