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

Systemtic Name: 2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile CAS Name: 2-[[3-(3,4-dimethylphenyl)-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-[3-(3,4-dimethylphenyl)-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylacetonitrile Traditional Name: 2-[[3-(3,4-dimethylphenyl)-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl]thio]acetonitrile Formula: C18H17N3OS2 MolecularWeight: 355.47708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3OS2/c1-10-5-6-14(9-11(10)2)21-17(22)15-12(3)13(4)24-16(15)20-18(21)23-8-7-19/h5-6,9H,8H2,1-4H3