N-(3-cyanophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(3-cyanophenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(3-cyanophenyl)propanamide CAS Name: N-(3-cyanophenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(3-cyanophenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-cyanophenyl)propionamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C#N)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H18N4O2S/c1-3-11-25-20(27)17-9-4-5-10-18(17)24-21(25)28-14(2)19(26)23-16-8-6-7-15(12-16)13-22/h3-10,12,14H,1,11H2,2H3,(H,23,26)