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

Systemtic Name: 6-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]pyridin-1-ium-3-sulfonamide Openeye Name: 6-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]pyridin-1-ium-3-sulfonamide CAS Name: 6-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[3-(4-cyclopentyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propylamino]pyridin-1-ium-3-sulfonamide Traditional Name: 6-[3-[4-cyclopentyl-5-(methylthio)-1,2,4-triazol-3-yl]propylamino]pyridin-1-ium-3-sulfonamide Formula: C16H25N6O2S2+ MolecularWeight: 397.5387

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2CCCC2)CCCNC3=[NH+]C=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CSC1=NN=C(N1C2CCCC2)CCCNC3=[NH+]C=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H24N6O2S2/c1-25-16-21-20-15(22(16)12-5-2-3-6-12)7-4-10-18-14-9-8-13(11-19-14)26(17,23)24/h8-9,11-12H,2-7,10H2,1H3,(H,18,19)(H2,17,23,24)/p+1