2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile

Systemtic Name: 2-(5-cyclopropyl-4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanenitrile Openeye Name: 2-(5-cyclopropyl-4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile CAS Name: 2-[(5-cyclopropyl-4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]acetonitrile IUPAC Name: 2-(5-cyclopropyl-4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetonitrile Traditional Name: 2-[(5-cyclopropyl-4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetonitrile Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

Isomeric SMILES

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC#N)C4=CC=CC=C4

InChI

InChI=1S/C17H13N3OS2/c18-8-9-22-17-19-15-14(13(10-23-15)11-6-7-11)16(21)20(17)12-4-2-1-3-5-12/h1-5,10-11H,6-7,9H2