2-[3-(methylsulfanylmethyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]ethylazanium

Systemtic Name: 2-[3-(methylsulfanylmethyl)-5-oxidanylidene-1,2-dihydropyrazol-4-yl]ethylazanium Openeye Name: 2-[3-(methylsulfanylmethyl)-5-oxo-1,2-dihydropyrazol-4-yl]ethylammonium CAS Name: 2-[3-[(methylthio)methyl]-5-oxo-1,2-dihydropyrazol-4-yl]ethylammonium IUPAC Name: 2-[3-(methylsulfanylmethyl)-5-oxo-1,2-dihydropyrazol-4-yl]ethylazanium Traditional Name: 2-[3-keto-5-[(methylthio)methyl]-3-pyrazolin-4-yl]ethylammonium Formula: C7H14N3OS+ MolecularWeight: 188.27056

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(C(=O)NN1)CC[NH3+]

Isomeric SMILES

CSCC1=C(C(=O)NN1)CC[NH3+]

InChI

InChI=1S/C7H13N3OS/c1-12-4-6-5(2-3-8)7(11)10-9-6/h2-4,8H2,1H3,(H2,9,10,11)/p+1