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

Systemtic Name: 3-[(4-oxidanylidene-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile Openeye Name: 3-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile CAS Name: 3-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propanenitrile IUPAC Name: 3-[(4-oxo-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)sulfanyl]propanenitrile Traditional Name: 3-[(4-keto-6-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)thio]propionitrile Formula: C15H11N3OS2 MolecularWeight: 313.39734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(NC3=O)SCCC#N

InChI

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