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

Systemtic Name: 3-[3-[2-(1-ethylbenzimidazol-2-yl)sulfanylethanoyl]indol-1-yl]propanenitrile Openeye Name: 3-[3-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile CAS Name: 3-[3-[2-[(1-ethyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-indolyl]propanenitrile IUPAC Name: 3-[3-[2-(1-ethylbenzimidazol-2-yl)sulfanylacetyl]indol-1-yl]propanenitrile Traditional Name: 3-[3-[2-[(1-ethylbenzimidazol-2-yl)thio]acetyl]indol-1-yl]propionitrile Formula: C22H20N4OS MolecularWeight: 388.4854

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)C3=CN(C4=CC=CC=C43)CCC#N

InChI

InChI=1S/C22H20N4OS/c1-2-26-20-11-6-4-9-18(20)24-22(26)28-15-21(27)17-14-25(13-7-12-23)19-10-5-3-8-16(17)19/h3-6,8-11,14H,2,7,13,15H2,1H3