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

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanenitrile Openeye Name: (2R)-2-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[[3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[[4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-3-(p-tolyl)propionitrile Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC(C#N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

Isomeric SMILES

CC1=CC=C(C=C1)C[C@H](C#N)SC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C

InChI

InChI=1S/C25H21N3OS/c1-17-11-13-19(14-12-17)15-20(16-26)30-25-27-22-9-5-4-8-21(22)24(29)28(25)23-10-6-3-7-18(23)2/h3-14,20H,15H2,1-2H3/t20-/m1/s1