2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)ethanamide

Systemtic Name: 2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)ethanamide Openeye Name: 2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]-N-(2-nitrophenyl)acetamide Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N(C2=O)C)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

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