4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]benzonitrile CAS Name: 4-[2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]benzonitrile Traditional Name: 4-[2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]acetyl]benzonitrile Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3OS2/c1-10-11(2)23-17-15(10)16(19-9-20-17)22-8-14(21)13-5-3-12(7-18)4-6-13/h3-6,9H,8H2,1-2H3