N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(2-methyl-4-quinazolinyl)thio]acetamide IUPAC Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-(2-methylquinazolin-4-yl)sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(2-methoxyphenyl)-2-[(2-methylquinazolin-4-yl)thio]acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CCC#N)C3=CC=CC=C3OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCC(=O)N(CCC#N)C3=CC=CC=C3OC

InChI

InChI=1S/C21H20N4O2S/c1-15-23-17-9-4-3-8-16(17)21(24-15)28-14-20(26)25(13-7-12-22)18-10-5-6-11-19(18)27-2/h3-6,8-11H,7,13-14H2,1-2H3