2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)ethanamide

Systemtic Name: 2-[3-(3-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)ethanamide Openeye Name: 2-[3-(3-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-cyano-2-thienyl)acetamide CAS Name: 2-[[3-(3-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(3-cyano-2-thiophenyl)acetamide IUPAC Name: 2-[3-(3-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-cyanothiophen-2-yl)acetamide Traditional Name: 2-[[3-(3-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-cyano-2-thienyl)acetamide Formula: C21H13ClN4O2S2 MolecularWeight: 452.93652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NC3=C(C=CS3)C#N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C21H13ClN4O2S2/c22-14-4-3-5-15(10-14)26-20(28)16-6-1-2-7-17(16)24-21(26)30-12-18(27)25-19-13(11-23)8-9-29-19/h1-10H,12H2,(H,25,27)