[4-(1,2,3,4-tetrazol-1-yl)phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate

Systemtic Name: [4-(1,2,3,4-tetrazol-1-yl)phenyl] 5-methyl-2-phenyl-1,2,3-triazole-4-carboxylate Openeye Name: [4-(tetrazol-1-yl)phenyl] 5-methyl-2-phenyl-triazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-triazolecarboxylic acid [4-(1-tetrazolyl)phenyl] ester IUPAC Name: [4-(tetrazol-1-yl)phenyl] 5-methyl-2-phenyltriazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-triazole-4-carboxylic acid [4-(tetrazol-1-yl)phenyl] ester Formula: C17H13N7O2 MolecularWeight: 347.33082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(N=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(N=C1C(=O)OC2=CC=C(C=C2)N3C=NN=N3)C4=CC=CC=C4

InChI

InChI=1S/C17H13N7O2/c1-12-16(20-24(19-12)14-5-3-2-4-6-14)17(25)26-15-9-7-13(8-10-15)23-11-18-21-22-23/h2-11H,1H3