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

Systemtic Name: (2S)-2-[3-[(2R)-butan-2-yl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Openeye Name: (2S)-2-[3-[(1R)-1-methylpropyl]-4-oxo-quinazolin-2-yl]sulfanyl-3-(p-tolyl)propanenitrile CAS Name: (2S)-2-[[3-[(2R)-butan-2-yl]-4-oxo-2-quinazolinyl]thio]-3-(4-methylphenyl)propanenitrile IUPAC Name: (2S)-2-[3-[(2R)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-3-(4-methylphenyl)propanenitrile Traditional Name: (2S)-2-[[4-keto-3-[(1R)-1-methylpropyl]quinazolin-2-yl]thio]-3-(p-tolyl)propionitrile Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(CC3=CC=C(C=C3)C)C#N

Isomeric SMILES

CC[C@@H](C)N1C(=O)C2=CC=CC=C2N=C1S[C@@H](CC3=CC=C(C=C3)C)C#N

InChI

InChI=1S/C22H23N3OS/c1-4-16(3)25-21(26)19-7-5-6-8-20(19)24-22(25)27-18(14-23)13-17-11-9-15(2)10-12-17/h5-12,16,18H,4,13H2,1-3H3/t16-,18+/m1/s1