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

Systemtic Name: 3-[3-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CN1C2=CC=CC=C2N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C21H18N4OS/c1-24-19-10-5-3-8-17(19)23-21(24)27-14-20(26)16-13-25(12-6-11-22)18-9-4-2-7-15(16)18/h2-5,7-10,13H,6,12,14H2,1H3