N-(1-cyanocyclohexyl)-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(4-cyanophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(4-cyanophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(4-cyanophenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(4-cyanophenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(4-cyanophenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C24H21N5O2S MolecularWeight: 443.52084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C#N

InChI

InChI=1S/C24H21N5O2S/c25-14-17-8-10-18(11-9-17)29-22(31)19-6-2-3-7-20(19)27-23(29)32-15-21(30)28-24(16-26)12-4-1-5-13-24/h2-3,6-11H,1,4-5,12-13,15H2,(H,28,30)