[6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: [6-chloranyl-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [6-chloro-1-(2-hydroxyethyl)-2-benzimidazolyl]methyl ester IUPAC Name: [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid [6-chloro-1-(2-hydroxyethyl)benzimidazol-2-yl]methyl ester Formula: C25H20ClN5O3 MolecularWeight: 473.911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3)C(=O)OCC4=NC5=C(N4CCO)C=C(C=C5)Cl

InChI

InChI=1S/C25H20ClN5O3/c26-18-11-12-20-21(15-18)30(13-14-32)22(27-20)16-34-25(33)23-28-24(17-7-3-1-4-8-17)31(29-23)19-9-5-2-6-10-19/h1-12,15,32H,13-14,16H2