(E)-1-(4-chlorophenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one

Systemtic Name: (E)-1-(4-chlorophenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one Openeye Name: (E)-1-(4-chlorophenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one CAS Name: (E)-1-(4-chlorophenyl)-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propen-1-one IUPAC Name: (E)-1-(4-chlorophenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-en-1-one Traditional Name: (E)-1-(4-chlorophenyl)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]prop-2-en-1-one Formula: C19H14ClN3O3S MolecularWeight: 399.85076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)C=CC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)/C=C/C(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H14ClN3O3S/c1-22-11-10-21-19(22)27-18-9-3-13(12-16(18)23(25)26)2-8-17(24)14-4-6-15(20)7-5-14/h2-12H,1H3/b8-2+