2-[3-(2-methoxy-5-methyl-phenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[3-(2-methoxy-5-methyl-phenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(2-methoxy-5-methyl-phenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(2-methoxy-5-methylphenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(2-methoxy-5-methylphenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[4-keto-3-(2-methoxy-5-methyl-phenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(N=C2SCC#N)SC(=C3C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(N=C2SCC#N)SC(=C3C)C

InChI

InChI=1S/C18H17N3O2S2/c1-10-5-6-14(23-4)13(9-10)21-17(22)15-11(2)12(3)25-16(15)20-18(21)24-8-7-19/h5-6,9H,8H2,1-4H3