(2R)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide

Systemtic Name: (2R)-2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Openeye Name: (2R)-2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide CAS Name: (2R)-2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(2-cyanophenyl)propanamide IUPAC Name: (2R)-2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-cyanophenyl)propanamide Traditional Name: (2R)-2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-(2-cyanophenyl)propionamide Formula: C25H19ClN4O2S MolecularWeight: 474.96196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4=CC=CC=C4C#N

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2S[C@H](C)C(=O)NC4=CC=CC=C4C#N

InChI

InChI=1S/C25H19ClN4O2S/c1-15-19(26)10-7-13-22(15)30-24(32)18-9-4-6-12-21(18)29-25(30)33-16(2)23(31)28-20-11-5-3-8-17(20)14-27/h3-13,16H,1-2H3,(H,28,31)/t16-/m1/s1