1-butyl-3-[1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazol-4-yl]sulfonyl-urea

Systemtic Name: 1-butyl-3-[1,3-dimethyl-5-(phenylmethylsulfanyl)pyrazol-4-yl]sulfonyl-urea Openeye Name: 1-(5-benzylsulfanyl-1,3-dimethyl-pyrazol-4-yl)sulfonyl-3-butyl-urea CAS Name: 1-butyl-3-[[1,3-dimethyl-5-(phenylmethylthio)-4-pyrazolyl]sulfonyl]urea IUPAC Name: 1-(5-benzylsulfanyl-1,3-dimethylpyrazol-4-yl)sulfonyl-3-butylurea Traditional Name: 1-[5-(benzylthio)-1,3-dimethyl-pyrazol-4-yl]sulfonyl-3-butyl-urea Formula: C17H24N4O3S2 MolecularWeight: 396.52746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=C(N(N=C1C)C)SCC2=CC=CC=C2

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=C(N(N=C1C)C)SCC2=CC=CC=C2

InChI

InChI=1S/C17H24N4O3S2/c1-4-5-11-18-17(22)20-26(23,24)15-13(2)19-21(3)16(15)25-12-14-9-7-6-8-10-14/h6-10H,4-5,11-12H2,1-3H3,(H2,18,20,22)