3-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(3-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(3-methyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(3-methyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)thio]methyl]benzonitrile IUPAC Name: 3-[(3-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-keto-3-methyl-thieno[2,3-d]pyrimidin-2-yl)thio]methyl]benzonitrile Formula: C15H11N3OS2 MolecularWeight: 313.39734

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC3=CC=CC(=C3)C#N)SC=C2

InChI

InChI=1S/C15H11N3OS2/c1-18-14(19)12-5-6-20-13(12)17-15(18)21-9-11-4-2-3-10(7-11)8-16/h2-7H,9H2,1H3