2-[(4-oxidanylidene-7-phenyl-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4-oxidanylidene-7-phenyl-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4-oxo-7-phenyl-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]acetonitrile CAS Name: 2-[(4-oxo-7-phenyl-1H-thieno[3,2-d]pyrimidin-6-yl)thio]acetonitrile IUPAC Name: 2-[(4-oxo-7-phenyl-1H-thieno[3,2-d]pyrimidin-6-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4-keto-7-phenyl-1H-thieno[3,2-d]pyrimidin-6-yl)thio]acetonitrile Formula: C14H9N3OS2 MolecularWeight: 299.37076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(SC3=C2NC=NC3=O)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(SC3=C2NC=NC3=O)SCC#N

InChI

InChI=1S/C14H9N3OS2/c15-6-7-19-14-10(9-4-2-1-3-5-9)11-12(20-14)13(18)17-8-16-11/h1-5,8H,7H2,(H,16,17,18)