N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(8-methyl-4-oxidanylidene-quinazolin-3-yl)ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(8-methyl-4-oxo-quinazolin-3-yl)acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(8-methyl-4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(4-keto-8-methyl-quinazolin-3-yl)acetamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NCCSCC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CC(=O)NCCSCC3=CC=CC=C3C#N

InChI

InChI=1S/C21H20N4O2S/c1-15-5-4-8-18-20(15)24-14-25(21(18)27)12-19(26)23-9-10-28-13-17-7-3-2-6-16(17)11-22/h2-8,14H,9-10,12-13H2,1H3,(H,23,26)