5-butyl-2-(2-chlorophenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-thione

Systemtic Name: 5-butyl-2-(2-chlorophenyl)-4-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-thione Openeye Name: 5-butyl-2-(2-chlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-thione CAS Name: 5-butyl-2-(2-chlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-thione IUPAC Name: 5-butyl-2-(2-chlorophenyl)-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,2,4-triazole-3-thione Traditional Name: 5-butyl-2-(2-chlorophenyl)-4-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]-1,2,4-triazole-3-thione Formula: C26H24ClN7S MolecularWeight: 502.03366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=S)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CC=CC=C5Cl

Isomeric SMILES

CCCCC1=NN(C(=S)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=CC=CC=C5Cl

InChI

InChI=1S/C26H24ClN7S/c1-2-3-12-24-30-34(23-11-7-6-10-22(23)27)26(35)33(24)17-18-13-15-19(16-14-18)20-8-4-5-9-21(20)25-28-31-32-29-25/h4-11,13-16H,2-3,12,17H2,1H3,(H,28,29,31,32)