3-[3-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile

Systemtic Name: 3-[3-[2-(1-phenethylbenzimidazol-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[1-oxo-2-[(1-phenethyl-2-benzimidazolyl)thio]ethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(1-phenethylbenzimidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(1-phenethylbenzimidazol-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C28H24N4OS MolecularWeight: 464.58136

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C3=CC=CC=C3N=C2SCC(=O)C4=CN(C5=CC=CC=C54)CCC#N

InChI

InChI=1S/C28H24N4OS/c29-16-8-17-31-19-23(22-11-4-6-13-25(22)31)27(33)20-34-28-30-24-12-5-7-14-26(24)32(28)18-15-21-9-2-1-3-10-21/h1-7,9-14,19H,8,15,17-18,20H2