2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)ethanamide

Systemtic Name: 2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)ethanamide Openeye Name: 2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(5-nitrothiazol-2-yl)acetamide CAS Name: 2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(5-nitro-2-thiazolyl)acetamide IUPAC Name: 2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(5-nitrothiazol-2-yl)acetamide Formula: C21H17N5O4S2 MolecularWeight: 467.52078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=C(S4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=NC=C(S4)[N+](=O)[O-])C

InChI

InChI=1S/C21H17N5O4S2/c1-12-7-13(2)9-14(8-12)25-19(28)15-5-3-4-6-16(15)23-21(25)31-11-17(27)24-20-22-10-18(32-20)26(29)30/h3-10H,11H2,1-2H3,(H,22,24,27)