2,6-dimethyl-4-[[[4-(4-nitrophenyl)sulfanylphenyl]amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethyl-4-[[[4-(4-nitrophenyl)sulfanylphenyl]amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-dimethyl-4-[[4-(4-nitrophenyl)sulfanylanilino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-dimethyl-4-[[4-[(4-nitrophenyl)thio]anilino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-dimethyl-4-[[4-(4-nitrophenyl)sulfanylanilino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-dimethyl-4-[[4-[(4-nitrophenyl)thio]anilino]methylene]cyclohexa-2,5-dien-1-one Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CNC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C=C(C1=O)C

InChI

InChI=1S/C21H18N2O3S/c1-14-11-16(12-15(2)21(14)24)13-22-17-3-7-19(8-4-17)27-20-9-5-18(6-10-20)23(25)26/h3-13,22H,1-2H3