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

Systemtic Name: 2-(5,6-dimethyl-4-oxidanylidene-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(5,6-dimethyl-4-oxo-3-phenethyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(5,6-dimethyl-4-oxo-3-phenethyl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(5,6-dimethyl-4-oxo-3-phenethylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(4-keto-5,6-dimethyl-3-phenethyl-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(SC2=C1C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC#N)CCC3=CC=CC=C3)C

InChI

InChI=1S/C18H17N3OS2/c1-12-13(2)24-16-15(12)17(22)21(18(20-16)23-11-9-19)10-8-14-6-4-3-5-7-14/h3-7H,8,10-11H2,1-2H3