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

Systemtic Name: 3-[2-[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile Openeye Name: 3-[2-[2-(1H-indol-3-yl)-2-oxo-ethyl]sulfanylbenzimidazol-1-yl]propanenitrile CAS Name: 3-[2-[[2-(1H-indol-3-yl)-2-oxoethyl]thio]-1-benzimidazolyl]propanenitrile IUPAC Name: 3-[2-[2-(1H-indol-3-yl)-2-oxoethyl]sulfanylbenzimidazol-1-yl]propanenitrile Traditional Name: 3-[2-[[2-(1H-indol-3-yl)-2-keto-ethyl]thio]benzimidazol-1-yl]propionitrile Formula: C20H16N4OS MolecularWeight: 360.43224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C(=O)CSC3=NC4=CC=CC=C4N3CCC#N

InChI

InChI=1S/C20H16N4OS/c21-10-5-11-24-18-9-4-3-8-17(18)23-20(24)26-13-19(25)15-12-22-16-7-2-1-6-14(15)16/h1-4,6-9,12,22H,5,11,13H2