(2E)-2-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylidene]-3,4-dihydronaphthalen-1-one

Systemtic Name: (2E)-2-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylidene]-3,4-dihydronaphthalen-1-one Openeye Name: (2E)-2-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]methylene]tetralin-1-one CAS Name: (2E)-2-[[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]methylidene]-3,4-dihydronaphthalen-1-one IUPAC Name: (2E)-2-[[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]methylidene]-3,4-dihydronaphthalen-1-one Traditional Name: (2E)-2-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-benzylidene]tetralin-1-one Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=C3CCC4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=C/3\CCC4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O3S/c1-23-11-10-22-21(23)28-19-9-6-14(13-18(19)24(26)27)12-16-8-7-15-4-2-3-5-17(15)20(16)25/h2-6,9-13H,7-8H2,1H3/b16-12+