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

Systemtic Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-1,2,3,4-tetrazol-5-yl)pyrrole-3-carbonitrile Openeye Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyrrole-3-carbonitrile CAS Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)-3-pyrrolecarbonitrile IUPAC Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyrrole-3-carbonitrile Traditional Name: 1-[4-[(3,5-dipropyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(2H-tetrazol-5-yl)pyrrole-3-carbonitrile Formula: C21H23N9 MolecularWeight: 401.46762

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C#N

Isomeric SMILES

CCCC1=NN(C(=N1)CCC)CC2=CC=C(C=C2)N3C=CC(=C3C4=NNN=N4)C#N

InChI

InChI=1S/C21H23N9/c1-3-5-18-23-19(6-4-2)30(26-18)14-15-7-9-17(10-8-15)29-12-11-16(13-22)20(29)21-24-27-28-25-21/h7-12H,3-6,14H2,1-2H3,(H,24,25,27,28)