1-(4-chlorophenyl)-5-(3-pyridin-3-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile

Systemtic Name: 1-(4-chlorophenyl)-5-(3-pyridin-3-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-(4-chlorophenyl)-5-[3-(3-pyridyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-(4-chlorophenyl)-5-[3-(3-pyridinyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-(4-chlorophenyl)-5-(3-pyridin-3-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-(4-chlorophenyl)-5-[3-(3-pyridyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile Formula: C17H15ClN5+ MolecularWeight: 324.7875

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC(=CN=C1)CCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H15ClN5/c18-15-6-8-16(9-7-15)23(12-19)17(21-13-22-23)5-1-3-14-4-2-10-20-11-14/h2,4,6-11,13H,1,3,5H2/q+1