N-(2-cyanophenyl)-2-[3-(2-hydroxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-cyanophenyl)-2-[3-(2-hydroxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(2-cyanophenyl)-2-[3-(2-hydroxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyanophenyl)-2-[[3-(2-hydroxyethyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyanophenyl)-2-[3-(2-hydroxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(2-cyanophenyl)-2-[[3-(2-hydroxyethyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C20H18N4O3S MolecularWeight: 394.44692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CCO

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1C#N)SC2=NC3=CC=CC=C3C(=O)N2CCO

InChI

InChI=1S/C20H18N4O3S/c1-13(18(26)22-16-8-4-2-6-14(16)12-21)28-20-23-17-9-5-3-7-15(17)19(27)24(20)10-11-25/h2-9,13,25H,10-11H2,1H3,(H,22,26)