3-[3-[2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-oxidanylidene-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-oxo-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-[(4-oxo-3-phenyl-2-thieno[2,3-d]pyrimidinyl)thio]ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-oxo-3-phenylthieno[2,3-d]pyrimidin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(4-keto-3-phenyl-thieno[2,3-d]pyrimidin-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C25H18N4O2S2 MolecularWeight: 470.56602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N)SC=C3

InChI

InChI=1S/C25H18N4O2S2/c26-12-6-13-28-15-20(18-9-4-5-10-21(18)28)22(30)16-33-25-27-23-19(11-14-32-23)24(31)29(25)17-7-2-1-3-8-17/h1-5,7-11,14-15H,6,13,16H2