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

Systemtic Name: 5-butyl-2-[(4-chloranylphenoxy)methyl]-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Openeye Name: 5-butyl-2-[(4-chlorophenoxy)methyl]-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one CAS Name: 5-butyl-2-[(4-chlorophenoxy)methyl]-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one IUPAC Name: 5-butyl-2-[(4-chlorophenoxy)methyl]-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazol-3-one Traditional Name: 5-butyl-2-[(4-chlorophenoxy)methyl]-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazol-3-one Formula: C27H26ClN7O2 MolecularWeight: 515.99404

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)COC5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)COC5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H26ClN7O2/c1-2-3-8-25-31-35(18-37-22-15-13-21(28)14-16-22)27(36)34(25)17-19-9-11-20(12-10-19)23-6-4-5-7-24(23)26-29-32-33-30-26/h4-7,9-16H,2-3,8,17-18H2,1H3,(H,29,30,32,33)