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

Systemtic Name: (2R)-3-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2R)-3-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2R)-3-[[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2R)-3-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2R)-3-[[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H](C)C#N

InChI

InChI=1S/C20H19N3OS/c1-3-15-8-10-16(11-9-15)23-19(24)17-6-4-5-7-18(17)22-20(23)25-13-14(2)12-21/h4-11,14H,3,13H2,1-2H3/t14-/m1/s1