4-[3-ethyl-1-[(4-methylperoxysulfanylphenyl)methyl]pyrazol-4-yl]piperidine

Systemtic Name: 4-[3-ethyl-1-[(4-methylperoxysulfanylphenyl)methyl]pyrazol-4-yl]piperidine Openeye Name: 4-[3-ethyl-1-[(4-methylperoxysulfanylphenyl)methyl]pyrazol-4-yl]piperidine CAS Name: 4-[[3-ethyl-4-(4-piperidinyl)-1-pyrazolyl]methyl]benzenesulfenic acid methoxy ester IUPAC Name: 4-[3-ethyl-1-[(4-methylperoxysulfanylphenyl)methyl]pyrazol-4-yl]piperidine Traditional Name: 4-[3-ethyl-1-[4-(methylperoxythio)benzyl]pyrazol-4-yl]piperidine Formula: C18H25N3O2S MolecularWeight: 347.475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C=C1C2CCNCC2)CC3=CC=C(C=C3)SOOC

Isomeric SMILES

CCC1=NN(C=C1C2CCNCC2)CC3=CC=C(C=C3)SOOC

InChI

InChI=1S/C18H25N3O2S/c1-3-18-17(15-8-10-19-11-9-15)13-21(20-18)12-14-4-6-16(7-5-14)24-23-22-2/h4-7,13,15,19H,3,8-12H2,1-2H3