3-[2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile

Systemtic Name: 3-[2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[(1S)-2-indolin-1-yl-2-keto-1-methyl-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C21)SC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C21H20N4OS/c1-15(20(26)24-14-11-16-7-2-4-9-18(16)24)27-21-23-17-8-3-5-10-19(17)25(21)13-6-12-22/h2-5,7-10,15H,6,11,13-14H2,1H3/t15-/m0/s1