N-(2-cyano-4-nitro-phenyl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-[3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-[3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[[3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-[3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[[3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C25H19N5O4S MolecularWeight: 485.51446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C25H19N5O4S/c1-15-6-5-9-22(16(15)2)29-24(32)19-7-3-4-8-21(19)28-25(29)35-14-23(31)27-20-11-10-18(30(33)34)12-17(20)13-26/h3-12H,14H2,1-2H3,(H,27,31)