methyl 4-[2,5-dimethyl-3-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2,5-dimethyl-3-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylthio)acetyl]pyrrol-1-yl]benzoic acid methyl ester Formula: C24H21N5O3S MolecularWeight: 459.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NNC4=NC5=CC=CC=C5N43

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)CSC3=NNC4=NC5=CC=CC=C5N43

InChI

InChI=1S/C24H21N5O3S/c1-14-12-18(15(2)28(14)17-10-8-16(9-11-17)22(31)32-3)21(30)13-33-24-27-26-23-25-19-6-4-5-7-20(19)29(23)24/h4-12H,13H2,1-3H3,(H,25,26)