(2R)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile

Systemtic Name: (2R)-2-[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylpropanenitrile Openeye Name: (2R)-2-(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylpropanenitrile CAS Name: (2R)-2-[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]propanenitrile IUPAC Name: (2R)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanenitrile Traditional Name: (2R)-2-[(3-isoamyl-4-keto-quinazolin-2-yl)thio]propionitrile Formula: C16H19N3OS MolecularWeight: 301.40656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=CC=CC=C2N=C1SC(C)C#N

Isomeric SMILES

C[C@H](C#N)SC1=NC2=CC=CC=C2C(=O)N1CCC(C)C

InChI

InChI=1S/C16H19N3OS/c1-11(2)8-9-19-15(20)13-6-4-5-7-14(13)18-16(19)21-12(3)10-17/h4-7,11-12H,8-9H2,1-3H3/t12-/m1/s1