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

Systemtic Name: [4-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-pyridin-4-yl-methanone Openeye Name: [4-[[5-(4-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone CAS Name: [4-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]-1-piperazin-4-iumyl]-pyridin-4-ylmethanone IUPAC Name: [4-[[5-(4-bromophenyl)-3-sulfanylidene-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-pyridin-4-ylmethanone Traditional Name: [4-[[5-(4-bromophenyl)-3-thioxo-1H-1,2,4-triazol-2-yl]methyl]piperazin-4-ium-1-yl]-(4-pyridyl)methanone Formula: C19H20BrN6OS+ MolecularWeight: 460.3707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=C(C=C3)Br)C(=O)C4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)N=C(N2)C3=CC=C(C=C3)Br)C(=O)C4=CC=NC=C4

InChI

InChI=1S/C19H19BrN6OS/c20-16-3-1-14(2-4-16)17-22-19(28)26(23-17)13-24-9-11-25(12-10-24)18(27)15-5-7-21-8-6-15/h1-8H,9-13H2,(H,22,23,28)/p+1