5-[4-(3-methylsulfanylpropylamino)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-(3-methylsulfanylpropylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(3-methylsulfanylpropylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-[3-(methylthio)propylamino]phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(3-methylsulfanylpropylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-[3-(methylthio)propylamino]phenyl]-3-pyrazolin-3-one Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CSCCCNC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C13H17N3OS/c1-18-8-2-7-14-11-5-3-10(4-6-11)12-9-13(17)16-15-12/h3-6,9,14H,2,7-8H2,1H3,(H2,15,16,17)