(2R)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile

Systemtic Name: (2R)-2-[3-(2-methoxyethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2R)-2-[3-(2-methoxyethyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-2-[[3-(2-methoxyethyl)-4-oxo-2-quinazolinyl]thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2R)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2R)-2-[[4-keto-3-(2-methoxyethyl)quinazolin-2-yl]thio]-3-(p-tolyl)propionitrile Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2CCOC

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=CC=CC=C3C(=O)N2CCOC

InChI

InChI=1S/C21H21N3O2S/c1-15-7-9-16(10-8-15)13-17(14-22)27-21-23-19-6-4-3-5-18(19)20(25)24(21)11-12-26-2/h3-10,17H,11-13H2,1-2H3/t17-/m1/s1