3-[[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[[4-oxidanylidene-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]benzonitrile CAS Name: 3-[[[4-oxo-3-[(1R)-1-phenylethyl]-2-quinazolinyl]thio]methyl]benzonitrile IUPAC Name: 3-[[4-oxo-3-[(1R)-1-phenylethyl]quinazolin-2-yl]sulfanylmethyl]benzonitrile Traditional Name: 3-[[[4-keto-3-[(1R)-1-phenylethyl]quinazolin-2-yl]thio]methyl]benzonitrile Formula: C24H19N3OS MolecularWeight: 397.49216

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

Isomeric SMILES

C[C@H](C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=CC=CC(=C4)C#N

InChI

InChI=1S/C24H19N3OS/c1-17(20-10-3-2-4-11-20)27-23(28)21-12-5-6-13-22(21)26-24(27)29-16-19-9-7-8-18(14-19)15-25/h2-14,17H,16H2,1H3/t17-/m1/s1