[4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[5-(4-methylphenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[5-(p-tolyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C19H22N5OS2+ MolecularWeight: 400.54088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=S)N(N2)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N5OS2/c1-14-4-6-15(7-5-14)17-20-19(26)24(21-17)13-22-8-10-23(11-9-22)18(25)16-3-2-12-27-16/h2-7,12H,8-11,13H2,1H3,(H,20,21,26)/p+1