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

Systemtic Name: [4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(4-methyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[4-methyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H21N6OS2+ MolecularWeight: 401.52894

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)C4=CC=NC=C4

InChI

InChI=1S/C18H20N6OS2/c1-21-16(14-4-6-19-7-5-14)20-24(18(21)26)13-22-8-10-23(11-9-22)17(25)15-3-2-12-27-15/h2-7,12H,8-11,13H2,1H3/p+1