2-[6-(4-methylphenyl)-4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[6-(4-methylphenyl)-4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-benzyl-4-oxo-6-(p-tolyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[6-(4-methylphenyl)-4-oxo-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-benzyl-6-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-benzyl-4-keto-6-(p-tolyl)thieno[3,2-d]pyrimidin-2-yl]thio]acetonitrile Formula: C22H17N3OS2 MolecularWeight: 403.51988

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC3=C(S2)C(=O)N(C(=N3)SCC#N)CC4=CC=CC=C4

InChI

InChI=1S/C22H17N3OS2/c1-15-7-9-17(10-8-15)19-13-18-20(28-19)21(26)25(22(24-18)27-12-11-23)14-16-5-3-2-4-6-16/h2-10,13H,12,14H2,1H3