(2R)-3-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2R)-3-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2R)-3-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-3-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2R)-3-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SC[C@H](C)C#N

InChI

InChI=1S/C20H18ClN3O2S/c1-12(10-22)11-27-20-23-16-7-5-4-6-14(16)19(25)24(20)17-8-13(2)15(21)9-18(17)26-3/h4-9,12H,11H2,1-3H3/t12-/m1/s1