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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=N1)C(C)CC)CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N

Isomeric SMILES

CCCCC1=NN(C(=N1)C(C)CC)CC2=CC=C(C=C2)N3C(=CC=C3C4=NNN=N4)C#N

InChI

InChI=1S/C23H27N9/c1-4-6-7-21-25-23(16(3)5-2)31(28-21)15-17-8-10-18(11-9-17)32-19(14-24)12-13-20(32)22-26-29-30-27-22/h8-13,16H,4-7,15H2,1-3H3,(H,26,27,29,30)