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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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