N-(4-methyl-2-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-methyl-2-nitro-phenyl)-2-(3-methyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-methyl-2-nitro-phenyl)-2-(3-methyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-methyl-2-nitrophenyl)-2-[(3-methyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-methyl-2-nitrophenyl)-2-(3-methyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(4-keto-3-methyl-quinazolin-2-yl)thio]-N-(4-methyl-2-nitro-phenyl)acetamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11-7-8-14(15(9-11)22(25)26)19-16(23)10-27-18-20-13-6-4-3-5-12(13)17(24)21(18)2/h3-9H,10H2,1-2H3,(H,19,23)