4-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide

Systemtic Name: 4-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Openeye Name: 4-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide CAS Name: 4-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-diethyl-1-piperazin-4-iumsulfonamide IUPAC Name: 4-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N,N-diethylpiperazin-4-ium-1-sulfonamide Traditional Name: 4-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]-N,N-diethyl-piperazin-4-ium-1-sulfonamide Formula: C19H30N7O2S2+ MolecularWeight: 452.6172

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CC[NH+](CC1)CN2C(=S)N(C(=N2)C3=CC=NC=C3)C4CC4

InChI

InChI=1S/C19H29N7O2S2/c1-3-23(4-2)30(27,28)24-13-11-22(12-14-24)15-25-19(29)26(17-5-6-17)18(21-25)16-7-9-20-10-8-16/h7-10,17H,3-6,11-15H2,1-2H3/p+1