1-[5-azanyl-3-methylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]propan-1-one

Systemtic Name: 1-[5-azanyl-3-methylsulfanyl-4-(phenylsulfonyl)pyrazol-1-yl]propan-1-one Openeye Name: 1-[5-amino-4-(benzenesulfonyl)-3-methylsulfanyl-pyrazol-1-yl]propan-1-one CAS Name: 1-[5-amino-4-(benzenesulfonyl)-3-(methylthio)-1-pyrazolyl]-1-propanone IUPAC Name: 1-[5-amino-4-(benzenesulfonyl)-3-methylsulfanylpyrazol-1-yl]propan-1-one Traditional Name: 1-[5-amino-4-besyl-3-(methylthio)pyrazol-1-yl]propan-1-one Formula: C13H15N3O3S2 MolecularWeight: 325.4065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(=C(C(=N1)SC)S(=O)(=O)C2=CC=CC=C2)N

Isomeric SMILES

CCC(=O)N1C(=C(C(=N1)SC)S(=O)(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C13H15N3O3S2/c1-3-10(17)16-12(14)11(13(15-16)20-2)21(18,19)9-7-5-4-6-8-9/h4-8H,3,14H2,1-2H3