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

Systemtic Name: 4-[(4-naphthalen-1-ylpiperazin-1-yl)-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(1-naphthyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-[4-(1-naphthalenyl)-1-piperazinyl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-naphthalen-1-ylpiperazin-1-yl)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-[4-(1-naphthyl)piperazino]methylene]cyclohexa-2,5-dien-1-one Formula: C21H20N2OS MolecularWeight: 348.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC3=CC=CC=C32)C(=C4C=CC(=O)C=C4)S

Isomeric SMILES

C1CN(CCN1C2=CC=CC3=CC=CC=C32)C(=C4C=CC(=O)C=C4)S

InChI

InChI=1S/C21H20N2OS/c24-18-10-8-17(9-11-18)21(25)23-14-12-22(13-15-23)20-7-3-5-16-4-1-2-6-19(16)20/h1-11,25H,12-15H2