2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]ethanamide

Systemtic Name: 2-[3-(3-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]ethanamide Openeye Name: 2-[3-(3-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide CAS Name: 2-[[3-(3-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide IUPAC Name: 2-[3-(3-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-cyano-1-cyclopropylethyl]acetamide Traditional Name: 2-[[3-(3-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-[(1S)-1-cyano-1-cyclopropyl-ethyl]acetamide Formula: C23H21ClN4O2S MolecularWeight: 452.95644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)N[C@](C)(C#N)C4CC4

InChI

InChI=1S/C23H21ClN4O2S/c1-14-17(24)7-5-9-19(14)28-21(30)16-6-3-4-8-18(16)26-22(28)31-12-20(29)27-23(2,13-25)15-10-11-15/h3-9,15H,10-12H2,1-2H3,(H,27,29)/t23-/m1/s1