(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Openeye Name: (1-butyltetrazol-5-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate CAS Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 1,5-diphenyl-1,2,4-triazole-3-carboxylate Traditional Name: 1,5-diphenyl-1,2,4-triazole-3-carboxylic acid (1-butyltetrazol-5-yl)methyl ester Formula: C21H21N7O2 MolecularWeight: 403.43714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=NN(C(=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21N7O2/c1-2-3-14-27-18(23-25-26-27)15-30-21(29)19-22-20(16-10-6-4-7-11-16)28(24-19)17-12-8-5-9-13-17/h4-13H,2-3,14-15H2,1H3