2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-ethanamide Openeye Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenyl-acetamide CAS Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(cyanomethyl)-N-phenylacetamide IUPAC Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyanomethyl)-N-phenylacetamide Traditional Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(cyanomethyl)-N-phenyl-acetamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CC#N)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)N(CC#N)C4=CC=CC=C4)C

InChI

InChI=1S/C26H21ClN4O2S/c1-17-7-6-10-23(18(17)2)31-25(33)21-12-11-19(27)15-22(21)29-26(31)34-16-24(32)30(14-13-28)20-8-4-3-5-9-20/h3-12,15H,14,16H2,1-2H3