methyl 5-azanyl-1-(methylcarbamoyloxysulfanyl)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(methylcarbamoyloxysulfanyl)-3-(phenylmethylsulfanyl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-benzylsulfanyl-1-(methylcarbamoyloxysulfanyl)pyrazole-4-carboxylate CAS Name: 5-amino-1-(methylcarbamoyloxythio)-3-(phenylmethylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-benzylsulfanyl-1-(methylcarbamoyloxysulfanyl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(benzylthio)-1-(methylcarbamoyloxythio)pyrazole-4-carboxylic acid methyl ester Formula: C14H16N4O4S2 MolecularWeight: 368.43124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)OSN1C(=C(C(=N1)SCC2=CC=CC=C2)C(=O)OC)N

Isomeric SMILES

CNC(=O)OSN1C(=C(C(=N1)SCC2=CC=CC=C2)C(=O)OC)N

InChI

InChI=1S/C14H16N4O4S2/c1-16-14(20)22-24-18-11(15)10(13(19)21-2)12(17-18)23-8-9-6-4-3-5-7-9/h3-7H,8,15H2,1-2H3,(H,16,20)