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

Systemtic Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[2-[(4-chlorophenyl)methylthio]ethylamino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[2-[(4-chlorophenyl)methylsulfanyl]ethylamino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[2-[(4-chlorobenzyl)thio]ethylamino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCCNC=C2C=C(C=CC2=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CSCCNC=C2C=C(C=CC2=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN2O3S/c17-14-3-1-12(2-4-14)11-23-8-7-18-10-13-9-15(19(21)22)5-6-16(13)20/h1-6,9-10,18H,7-8,11H2