6-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]pyridin-1-ium-3-sulfonamide Formula: C15H25N6O2S2+ MolecularWeight: 385.528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNC2=[NH+]C=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C15H24N6O2S2/c1-11(2)10-21-14(19-20-15(21)24-3)5-4-8-17-13-7-6-12(9-18-13)25(16,22)23/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,17,18)(H2,16,22,23)/p+1