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

Systemtic Name: 1-(4-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-(4-chlorophenyl)-5-[3-(2-thienyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-(4-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-(4-chlorophenyl)-5-(3-thiophen-2-ylpropyl)-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-(4-chlorophenyl)-5-[3-(2-thienyl)propyl]-1,2,4-triazol-1-ium-1-carbonitrile Formula: C16H14ClN4S+ MolecularWeight: 329.82716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN4S/c17-13-6-8-14(9-7-13)21(11-18)16(19-12-20-21)5-1-3-15-4-2-10-22-15/h2,4,6-10,12H,1,3,5H2/q+1