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

Systemtic Name: [4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[4-methyl-3-(2-thienylmethyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[4-methyl-5-sulfanylidene-3-(thiophen-2-ylmethyl)-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[4-methyl-3-(2-thenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C18H22N5OS3+ MolecularWeight: 420.59518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CS4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=CS4

InChI

InChI=1S/C18H21N5OS3/c1-20-16(12-14-4-2-10-26-14)19-23(18(20)25)13-21-6-8-22(9-7-21)17(24)15-5-3-11-27-15/h2-5,10-11H,6-9,12-13H2,1H3/p+1