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

Systemtic Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 4-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzonitrile Formula: C16H13N3S2 MolecularWeight: 311.42452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C16H13N3S2/c1-10-11(2)21-16-14(10)15(18-9-19-16)20-8-13-5-3-12(7-17)4-6-13/h3-6,9H,8H2,1-2H3