3-[2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-keto-2-(2-methyl-1H-indol-3-yl)ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C21H18N4OS MolecularWeight: 374.45882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

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