N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide

Systemtic Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-oxidanylidenequinazolin-3-yl)ethanamide Openeye Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide CAS Name: N-[2-[(2-cyanophenyl)methylthio]ethyl]-2-(4-oxo-3-quinazolinyl)acetamide IUPAC Name: N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]-2-(4-oxoquinazolin-3-yl)acetamide Traditional Name: N-[2-[(2-cyanobenzyl)thio]ethyl]-2-(4-ketoquinazolin-3-yl)acetamide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)CN2C=NC3=CC=CC=C3C2=O)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)CN2C=NC3=CC=CC=C3C2=O)C#N

InChI

InChI=1S/C20H18N4O2S/c21-11-15-5-1-2-6-16(15)13-27-10-9-22-19(25)12-24-14-23-18-8-4-3-7-17(18)20(24)26/h1-8,14H,9-10,12-13H2,(H,22,25)