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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC(=C3C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC#N)SC(=C3C)C

InChI

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