(2S)-3-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile

Systemtic Name: (2S)-3-[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile Openeye Name: (2S)-3-[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-2-methyl-propanenitrile CAS Name: (2S)-3-[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-2-methylpropanenitrile IUPAC Name: (2S)-3-[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-2-methylpropanenitrile Traditional Name: (2S)-3-[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]-2-methyl-propionitrile Formula: C19H17N3O2S MolecularWeight: 351.42218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC)C#N

Isomeric SMILES

C[C@H](CSC1=NC2=CC=CC=C2C(=O)N1C3=CC(=CC=C3)OC)C#N

InChI

InChI=1S/C19H17N3O2S/c1-13(11-20)12-25-19-21-17-9-4-3-8-16(17)18(23)22(19)14-6-5-7-15(10-14)24-2/h3-10,13H,12H2,1-2H3/t13-/m0/s1