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

Systemtic Name: 4-[[4-(3-nitrophenyl)piperazin-1-yl]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[[4-(3-nitrophenyl)piperazin-1-yl]-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-[4-(3-nitrophenyl)-1-piperazinyl]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[[4-(3-nitrophenyl)piperazin-1-yl]-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[mercapto-[4-(3-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/c21-16-6-4-13(5-7-16)17(24)19-10-8-18(9-11-19)14-2-1-3-15(12-14)20(22)23/h1-7,12,24H,8-11H2