2-[4-oxidanylidene-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-3-yl]ethanenitrile

Systemtic Name: 2-[4-oxidanylidene-2-(phenylmethylsulfanyl)thieno[3,2-d]pyrimidin-3-yl]ethanenitrile Openeye Name: 2-(2-benzylsulfanyl-4-oxo-thieno[3,2-d]pyrimidin-3-yl)acetonitrile CAS Name: 2-[4-oxo-2-(phenylmethylthio)-3-thieno[3,2-d]pyrimidinyl]acetonitrile IUPAC Name: 2-(2-benzylsulfanyl-4-oxothieno[3,2-d]pyrimidin-3-yl)acetonitrile Traditional Name: 2-[2-(benzylthio)-4-keto-thieno[3,2-d]pyrimidin-3-yl]acetonitrile Formula: C15H11N3OS2 MolecularWeight: 313.39734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC#N)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC#N)SC=C3

InChI

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