methyl 2-[[5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[[5-butyl-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 2-[[5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 2-[[[5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[5-butyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 2-[[[5-butyl-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C29H29N7O2S MolecularWeight: 539.65126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)SCC5=CC=CC=C5C(=O)OC

Isomeric SMILES

CCCCC1=NN=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)SCC5=CC=CC=C5C(=O)OC

InChI

InChI=1S/C29H29N7O2S/c1-3-4-13-26-30-33-29(39-19-22-9-5-6-11-24(22)28(37)38-2)36(26)18-20-14-16-21(17-15-20)23-10-7-8-12-25(23)27-31-34-35-32-27/h5-12,14-17H,3-4,13,18-19H2,1-2H3,(H,31,32,34,35)