4-methyl-3-methylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-triazole

Systemtic Name: 4-methyl-3-methylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-triazole Openeye Name: 4-methyl-3-methylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-triazole CAS Name: 4-methyl-3-(methylthio)-5-[(2S)-2-pyrrolidin-1-iumyl]-1,2,4-triazole IUPAC Name: 4-methyl-3-methylsulfanyl-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-triazole Traditional Name: 4-methyl-3-(methylthio)-5-[(2S)-pyrrolidin-1-ium-2-yl]-1,2,4-triazole Formula: C8H15N4S+ MolecularWeight: 199.2965

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC)C2CCC[NH2+]2

Isomeric SMILES

CN1C(=NN=C1SC)[C@@H]2CCC[NH2+]2

InChI

InChI=1S/C8H14N4S/c1-12-7(6-4-3-5-9-6)10-11-8(12)13-2/h6,9H,3-5H2,1-2H3/p+1/t6-/m0/s1