(2R)-2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: (2R)-2-[(3-butyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[(3-butyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[(3-butyl-4-oxo-2-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[(3-butyl-4-oxoquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[(3-butyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C18H20N4OS MolecularWeight: 340.4426

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(CCC#N)C#N

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC[C@H](CCC#N)C#N

InChI

InChI=1S/C18H20N4OS/c1-2-3-11-22-17(23)15-8-4-5-9-16(15)21-18(22)24-13-14(12-20)7-6-10-19/h4-5,8-9,14H,2-3,6-7,11,13H2,1H3/t14-/m1/s1