4-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile

Systemtic Name: 4-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Openeye Name: 4-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile CAS Name: 4-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]butanenitrile IUPAC Name: 4-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylbutanenitrile Traditional Name: 4-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]butyronitrile Formula: C16H13N3OS2 MolecularWeight: 327.42392

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCCC#N)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCCCC#N)SC=C3

InChI

InChI=1S/C16H13N3OS2/c17-9-4-5-10-22-16-18-14-13(8-11-21-14)15(20)19(16)12-6-2-1-3-7-12/h1-3,6-8,11H,4-5,10H2