3-[3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[[1-(2,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-[1-(2,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[[1-(2,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]indol-1-yl]propionitrile Formula: C24H22N4OS MolecularWeight: 414.52268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=CN=C2SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N)C

InChI

InChI=1S/C24H22N4OS/c1-17-8-9-21(18(2)14-17)28-13-11-26-24(28)30-16-23(29)20-15-27(12-5-10-25)22-7-4-3-6-19(20)22/h3-4,6-9,11,13-15H,5,12,16H2,1-2H3