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

Systemtic Name: (E)-1-(4-chlorophenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one hydrochloride Openeye Name: (E)-1-(4-chlorophenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitro-phenyl]prop-2-en-1-one hydrochloride CAS Name: (E)-1-(4-chlorophenyl)-3-[4-[(1-methyl-2-imidazolyl)thio]-3-nitrophenyl]-2-propen-1-one hydrochloride IUPAC Name: (E)-1-(4-chlorophenyl)-3-[4-(1-methylimidazol-2-yl)sulfanyl-3-nitrophenyl]prop-2-en-1-one hydrochloride Traditional Name: (E)-1-(4-chlorophenyl)-3-[4-[(1-methylimidazol-2-yl)thio]-3-nitro-phenyl]prop-2-en-1-one hydrochloride Formula: C19H15Cl2N3O3S MolecularWeight: 436.3117

Click to see the large picture

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-].Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O3S.ClH/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;1H/b8-2+;