N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-quinazolin-4-ylsulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-quinazolin-4-ylsulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(4-quinazolinylthio)acetamide IUPAC Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-quinazolin-4-ylsulfanylacetamide Traditional Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-(quinazolin-4-ylthio)acetamide Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC=NC3=CC=CC=C32)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CCC#N)C(=O)CSC2=NC=NC3=CC=CC=C32)C

InChI

InChI=1S/C21H20N4OS/c1-15-10-16(2)12-17(11-15)25(9-5-8-22)20(26)13-27-21-18-6-3-4-7-19(18)23-14-24-21/h3-4,6-7,10-12,14H,5,9,13H2,1-2H3