6-[(3-chlorophenyl)-(1,2,3-triazol-1-yl)methyl]-2-methyl-1H-benzimidazole; ethanedioate

Systemtic Name: 6-[(3-chlorophenyl)-(1,2,3-triazol-1-yl)methyl]-2-methyl-1H-benzimidazole; ethanedioate Openeye Name: 6-[(3-chlorophenyl)-(triazol-1-yl)methyl]-2-methyl-1H-benzimidazole; oxalate CAS Name: 6-[(3-chlorophenyl)-(1-triazolyl)methyl]-2-methyl-1H-benzimidazole; oxalate IUPAC Name: 6-[(3-chlorophenyl)-(triazol-1-yl)methyl]-2-methyl-1H-benzimidazole; oxalate Traditional Name: 6-[(3-chlorophenyl)-(triazol-1-yl)methyl]-2-methyl-1H-benzimidazole; oxalate Formula: C21H14ClN5O8-4 MolecularWeight: 499.81756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1)C=C(C=C2)C(C3=CC(=CC=C3)Cl)N4C=CN=N4.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CC1=NC2=C(N1)C=C(C=C2)C(C3=CC(=CC=C3)Cl)N4C=CN=N4.C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C17H14ClN5.2C2H2O4/c1-11-20-15-6-5-13(10-16(15)21-11)17(23-8-7-19-22-23)12-3-2-4-14(18)9-12;2*3-1(4)2(5)6/h2-10,17H,1H3,(H,20,21);2*(H,3,4)(H,5,6)/p-4