4-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[[3-(2-furanyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[[3-(furan-2-yl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N,N-dimethylpiperazin-4-ium-1-carboxamide Traditional Name: 4-[[3-(2-furyl)-4-methyl-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-dimethyl-piperazin-4-ium-1-carboxamide Formula: C15H23N6O2S+ MolecularWeight: 351.44712

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)N(C)C)C3=CC=CO3

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCN(CC2)C(=O)N(C)C)C3=CC=CO3

InChI

InChI=1S/C15H22N6O2S/c1-17(2)14(22)20-8-6-19(7-9-20)11-21-15(24)18(3)13(16-21)12-5-4-10-23-12/h4-5,10H,6-9,11H2,1-3H3/p+1