2-[4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile

Systemtic Name: 2-[4-oxidanylidene-3-(phenylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylethanenitrile Openeye Name: 2-(3-benzyl-4-oxo-thieno[3,2-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[[4-oxo-3-(phenylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]acetonitrile IUPAC Name: 2-(3-benzyl-4-oxothieno[3,2-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(3-benzyl-4-keto-thieno[3,2-d]pyrimidin-2-yl)thio]acetonitrile Formula: C15H11N3OS2 MolecularWeight: 313.39734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC#N

InChI

InChI=1S/C15H11N3OS2/c16-7-9-21-15-17-12-6-8-20-13(12)14(19)18(15)10-11-4-2-1-3-5-11/h1-6,8H,9-10H2