3-[3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C24H20N4OS MolecularWeight: 412.5068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C24H20N4OS/c1-17-14-21(18-8-3-2-4-9-18)27-24(26-17)30-16-23(29)20-15-28(13-7-12-25)22-11-6-5-10-19(20)22/h2-6,8-11,14-15H,7,13,16H2,1H3