6-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide

Systemtic Name: 6-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Openeye Name: 6-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide CAS Name: 6-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazin-4-iumyl]-3-pyridinecarboxamide IUPAC Name: 6-[4-[[5-(4-ethylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]pyridine-3-carboxamide Traditional Name: 6-[4-[[5-(4-ethylphenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]nicotinamide Formula: C21H26N7OS+ MolecularWeight: 424.54244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C4=NC=C(C=C4)C(=O)N

InChI

InChI=1S/C21H25N7OS/c1-2-15-3-5-16(6-4-15)20-24-21(30)28(25-20)14-26-9-11-27(12-10-26)18-8-7-17(13-23-18)19(22)29/h3-8,13H,2,9-12,14H2,1H3,(H2,22,29)(H,24,25,30)/p+1