(2S)-2-[(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile

Systemtic Name: (2S)-2-[(3-ethyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile Openeye Name: (2S)-2-[(3-ethyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]pentanedinitrile CAS Name: (2S)-2-[[(3-ethyl-4-oxo-2-quinazolinyl)thio]methyl]pentanedinitrile IUPAC Name: (2S)-2-[(3-ethyl-4-oxoquinazolin-2-yl)sulfanylmethyl]pentanedinitrile Traditional Name: (2S)-2-[[(3-ethyl-4-keto-quinazolin-2-yl)thio]methyl]glutaronitrile Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2N=C1SCC(CCC#N)C#N

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2N=C1SC[C@@H](CCC#N)C#N

InChI

InChI=1S/C16H16N4OS/c1-2-20-15(21)13-7-3-4-8-14(13)19-16(20)22-11-12(10-18)6-5-9-17/h3-4,7-8,12H,2,5-6,11H2,1H3/t12-/m0/s1