1-[4-[[5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-1,2,3,4-tetrazol-5-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-[4-[[5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-1,2,3,4-tetrazol-5-yl)pyrrole-2-carbonitrile Openeye Name: 1-[4-[(5-butyl-3-isobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile CAS Name: 1-[4-[[5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-tetrazol-5-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-[4-[[5-butyl-3-(2-methylpropyl)-1,2,4-triazol-1-yl]methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile Traditional Name: 1-[4-[(5-butyl-3-isobutyl-1,2,4-triazol-1-yl)methyl]phenyl]-5-(2H-tetrazol-5-yl)pyrrole-2-carbonitrile Formula: C23H27N9 MolecularWeight: 429.52078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N)CC(C)C

Isomeric SMILES

CCCCC1=NC(=NN1CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N)CC(C)C

InChI

InChI=1S/C23H27N9/c1-4-5-6-22-25-21(13-16(2)3)28-31(22)15-17-7-9-18(10-8-17)32-19(14-24)11-12-20(32)23-26-29-30-27-23/h7-12,16H,4-6,13,15H2,1-3H3,(H,26,27,29,30)