2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide

Systemtic Name: 2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Openeye Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide CAS Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanophenyl)propanamide IUPAC Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Traditional Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanophenyl)propionamide Formula: C26H21ClN4O2S MolecularWeight: 488.98854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SC(C)C(=O)NC4=CC=CC=C4C#N)C

InChI

InChI=1S/C26H21ClN4O2S/c1-15-7-6-10-23(16(15)2)31-25(33)20-12-11-19(27)13-22(20)30-26(31)34-17(3)24(32)29-21-9-5-4-8-18(21)14-28/h4-13,17H,1-3H3,(H,29,32)