5-(2-azanylethylsulfanylmethyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 5-(2-azanylethylsulfanylmethyl)-1,2-dihydropyrazol-3-one Openeye Name: 5-(2-aminoethylsulfanylmethyl)-1,2-dihydropyrazol-3-one CAS Name: 5-[(2-aminoethylthio)methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-(2-aminoethylsulfanylmethyl)-1,2-dihydropyrazol-3-one Traditional Name: 5-[(2-aminoethylthio)methyl]-3-pyrazolin-3-one Formula: C6H11N3OS MolecularWeight: 173.23604

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NNC1=O)CSCCN

Isomeric SMILES

C1=C(NNC1=O)CSCCN

InChI

InChI=1S/C6H11N3OS/c7-1-2-11-4-5-3-6(10)9-8-5/h3H,1-2,4,7H2,(H2,8,9,10)