N-(2-cyano-4-nitro-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-4-nitro-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyano-4-nitro-phenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2-cyano-4-nitrophenyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyano-4-nitrophenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyano-4-nitro-phenyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C18H13N5O3S MolecularWeight: 379.39252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C18H13N5O3S/c1-11-20-16-5-3-2-4-14(16)18(21-11)27-10-17(24)22-15-7-6-13(23(25)26)8-12(15)9-19/h2-8H,10H2,1H3,(H,22,24)