6-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-nitro-6-[[2-(p-tolylsulfanyl)ethylamino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(4-methylphenyl)thio]ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-nitro-6-[[2-(p-tolylthio)ethylamino]methylene]cyclohexa-2,4-dien-1-one Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-12-2-5-15(6-3-12)22-9-8-17-11-13-10-14(18(20)21)4-7-16(13)19/h2-7,10-11,17H,8-9H2,1H3