3-(4-oxidanylidene-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile

Systemtic Name: 3-(4-oxidanylidene-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Openeye Name: 3-(4-oxo-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile CAS Name: 3-[(4-oxo-3,6-diphenyl-2-thieno[2,3-d]pyrimidinyl)thio]propanenitrile IUPAC Name: 3-(4-oxo-3,6-diphenylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanenitrile Traditional Name: 3-[(4-keto-3,6-diphenyl-thieno[2,3-d]pyrimidin-2-yl)thio]propionitrile Formula: C21H15N3OS2 MolecularWeight: 389.4933

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(S2)N=C(N(C3=O)C4=CC=CC=C4)SCCC#N

InChI

InChI=1S/C21H15N3OS2/c22-12-7-13-26-21-23-19-17(14-18(27-19)15-8-3-1-4-9-15)20(25)24(21)16-10-5-2-6-11-16/h1-6,8-11,14H,7,13H2