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

Systemtic Name: 4-[[4-(2-nitrophenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(2-nitrophenyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-[4-(2-nitrophenyl)-1-piperazinyl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(2-nitrophenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-[4-(2-nitrophenyl)piperazino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=C3C=CC(=O)C=C3)S

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=C3C=CC(=O)C=C3)S

InChI

InChI=1S/C17H17N3O3S/c21-14-7-5-13(6-8-14)17(24)19-11-9-18(10-12-19)15-3-1-2-4-16(15)20(22)23/h1-8,24H,9-12H2