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

Systemtic Name: 1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrole-3-carbonitrile Openeye Name: 1-[4-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyrrole-3-carbonitrile CAS Name: 1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)-3-pyrrolecarbonitrile IUPAC Name: 1-[4-[(5-butyl-3-propan-2-yl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyrrole-3-carbonitrile Traditional Name: 1-[4-[(5-butyl-3-isopropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyrrole-3-carbonitrile Formula: C22H25N9 MolecularWeight: 415.4942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N9/c1-4-5-6-19-24-21(15(2)3)27-31(19)14-16-7-9-18(10-8-16)30-12-11-17(13-23)20(30)22-25-28-29-26-22/h7-12,15H,4-6,14H2,1-3H3,(H,25,26,28,29)