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

Systemtic Name: 6-[[2-(4-chlorophenyl)sulfanylethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-(4-chlorophenyl)sulfanylethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(4-chlorophenyl)thio]ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-(4-chlorophenyl)sulfanylethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[(4-chlorophenyl)thio]ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C15H13ClN2O3S MolecularWeight: 336.79332

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC=C2C=C(C=CC2=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC=C2C=C(C=CC2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H13ClN2O3S/c16-12-1-4-14(5-2-12)22-8-7-17-10-11-9-13(18(20)21)3-6-15(11)19/h1-6,9-10,17H,7-8H2