N-(2-methyl-5-nitro-phenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-methyl-5-nitro-phenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-methyl-5-nitro-phenyl)-2-[2-(2-thienyl)quinazolin-4-yl]sulfanyl-acetamide CAS Name: N-(2-methyl-5-nitrophenyl)-2-[(2-thiophen-2-yl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-methyl-5-nitrophenyl)-2-(2-thiophen-2-ylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-methyl-5-nitro-phenyl)-2-[[2-(2-thienyl)quinazolin-4-yl]thio]acetamide Formula: C21H16N4O3S2 MolecularWeight: 436.50674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C21H16N4O3S2/c1-13-8-9-14(25(27)28)11-17(13)22-19(26)12-30-21-15-5-2-3-6-16(15)23-20(24-21)18-7-4-10-29-18/h2-11H,12H2,1H3,(H,22,26)