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

Systemtic Name: 3-(4-oxidanylidene-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(4-oxo-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(4-oxo-3-phenethyl-5-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(4-oxo-3-phenethyl-5-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(4-keto-3-phenethyl-5-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionitrile Formula: C23H19N3OS2 MolecularWeight: 417.54646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCCC#N)SC=C3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=O)C3=C(N=C2SCCC#N)SC=C3C4=CC=CC=C4

InChI

InChI=1S/C23H19N3OS2/c24-13-7-15-28-23-25-21-20(19(16-29-21)18-10-5-2-6-11-18)22(27)26(23)14-12-17-8-3-1-4-9-17/h1-6,8-11,16H,7,12,14-15H2