3-[3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4CCCCC4)C

Isomeric SMILES

CC1=C(N(C(=N1)SCC(=O)C2=CN(C3=CC=CC=C32)CCC#N)C4CCCCC4)C

InChI

InChI=1S/C24H28N4OS/c1-17-18(2)28(19-9-4-3-5-10-19)24(26-17)30-16-23(29)21-15-27(14-8-13-25)22-12-7-6-11-20(21)22/h6-7,11-12,15,19H,3-5,8-10,14,16H2,1-2H3