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

Systemtic Name: (2R)-2-[[3-(3-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile Openeye Name: (2R)-2-[[3-(3-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]pentanedinitrile CAS Name: (2R)-2-[[[3-(3-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]methyl]pentanedinitrile IUPAC Name: (2R)-2-[[3-(3-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]pentanedinitrile Traditional Name: (2R)-2-[[[4-keto-3-(3-methoxyphenyl)quinazolin-2-yl]thio]methyl]glutaronitrile Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(CCC#N)C#N

Isomeric SMILES

COC1=CC=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC[C@H](CCC#N)C#N

InChI

InChI=1S/C21H18N4O2S/c1-27-17-8-4-7-16(12-17)25-20(26)18-9-2-3-10-19(18)24-21(25)28-14-15(13-23)6-5-11-22/h2-4,7-10,12,15H,5-6,14H2,1H3/t15-/m1/s1