2-[5-ethyl-6-methyl-3-(3-methylphenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl]sulfanylethanenitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=CC(=C3)C)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)C3=CC=CC(=C3)C)C

InChI

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