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

Systemtic Name: 1-(4-chlorophenyl)-5-(4-thiophen-2-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile Openeye Name: 1-(4-chlorophenyl)-5-[4-(2-thienyl)butyl]-1,2,4-triazol-1-ium-1-carbonitrile CAS Name: 1-(4-chlorophenyl)-5-(4-thiophen-2-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile IUPAC Name: 1-(4-chlorophenyl)-5-(4-thiophen-2-ylbutyl)-1,2,4-triazol-1-ium-1-carbonitrile Traditional Name: 1-(4-chlorophenyl)-5-[4-(2-thienyl)butyl]-1,2,4-triazol-1-ium-1-carbonitrile Formula: C17H16ClN4S+ MolecularWeight: 343.85374

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CSC(=C1)CCCCC2=NC=N[N+]2(C#N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN4S/c18-14-7-9-15(10-8-14)22(12-19)17(20-13-21-22)6-2-1-4-16-5-3-11-23-16/h3,5,7-11,13H,1-2,4,6H2/q+1