6-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-benzotriazole; ethanedioate

Systemtic Name: 6-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-benzotriazole; ethanedioate Openeye Name: 6-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-benzotriazole; oxalate CAS Name: 6-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole; oxalate IUPAC Name: 6-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methylbenzotriazole; oxalate Traditional Name: 6-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]-1-methyl-benzotriazole; oxalate Formula: C18H13ClN6O4-2 MolecularWeight: 412.78662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C(C3=CC(=CC=C3)Cl)N4C=NC=N4)N=N1.C(=O)(C(=O)[O-])[O-]

Isomeric SMILES

CN1C2=C(C=CC(=C2)C(C3=CC(=CC=C3)Cl)N4C=NC=N4)N=N1.C(=O)(C(=O)[O-])[O-]

InChI

InChI=1S/C16H13ClN6.C2H2O4/c1-22-15-8-12(5-6-14(15)20-21-22)16(23-10-18-9-19-23)11-3-2-4-13(17)7-11;3-1(4)2(5)6/h2-10,16H,1H3;(H,3,4)(H,5,6)/p-2