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

Systemtic Name: 2-[3-(4-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)ethanamide Openeye Name: N-(5-nitrothiazol-2-yl)-2-[4-oxo-3-(p-tolyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: 2-[[3-(4-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(5-nitro-2-thiazolyl)acetamide IUPAC Name: 2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(5-nitro-1,3-thiazol-2-yl)acetamide Traditional Name: 2-[[4-keto-3-(p-tolyl)quinazolin-2-yl]thio]-N-(5-nitrothiazol-2-yl)acetamide Formula: C20H15N5O4S2 MolecularWeight: 453.4942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15N5O4S2/c1-12-6-8-13(9-7-12)24-18(27)14-4-2-3-5-15(14)22-20(24)30-11-16(26)23-19-21-10-17(31-19)25(28)29/h2-10H,11H2,1H3,(H,21,23,26)