(E)-3-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-N-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-N-(4-chlorophenyl)-3-[(4-chlorophenyl)amino]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanyl-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-[[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]thio]-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanyl-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-[[2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]thio]-3-(4-chloroanilino)-N-(4-chlorophenyl)-2-cyano-acrylamide Formula: C30H20BrCl2N5O4S MolecularWeight: 697.3859

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)SC(=C(C#N)C(=O)NC3=CC=C(C=C3)Cl)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)S/C(=C(\C#N)/C(=O)NC3=CC=C(C=C3)Cl)/NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H20BrCl2N5O4S/c31-25-16-23(38(41)42)14-15-26(25)37-29(40)27(18-4-2-1-3-5-18)43-30(36-22-12-8-20(33)9-13-22)24(17-34)28(39)35-21-10-6-19(32)7-11-21/h1-16,27,36H,(H,35,39)(H,37,40)/b30-24+