N-(cyanomethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide

Systemtic Name: N-(cyanomethyl)-2-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-phenyl-ethanamide Openeye Name: N-(cyanomethyl)-2-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-phenyl-acetamide CAS Name: N-(cyanomethyl)-2-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-phenylacetamide IUPAC Name: N-(cyanomethyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-phenylacetamide Traditional Name: N-(cyanomethyl)-2-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-phenyl-acetamide Formula: C26H22N4O2S MolecularWeight: 454.54348

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC#N)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N(CC#N)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O2S/c1-2-19-12-14-21(15-13-19)30-25(32)22-10-6-7-11-23(22)28-26(30)33-18-24(31)29(17-16-27)20-8-4-3-5-9-20/h3-15H,2,17-18H2,1H3