4-methoxy-2,3,6-trimethyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzenesulfonamide

Systemtic Name: 4-methoxy-2,3,6-trimethyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzenesulfonamide Openeye Name: 4-methoxy-2,3,6-trimethyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzenesulfonamide CAS Name: 4-methoxy-2,3,6-trimethyl-N-[1-[(phenylthio)methyl]-4-pyrazolyl]benzenesulfonamide IUPAC Name: 4-methoxy-2,3,6-trimethyl-N-[1-(phenylsulfanylmethyl)pyrazol-4-yl]benzenesulfonamide Traditional Name: 4-methoxy-2,3,6-trimethyl-N-[1-[(phenylthio)methyl]pyrazol-4-yl]benzenesulfonamide Formula: C20H23N3O3S2 MolecularWeight: 417.54492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1S(=O)(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)C)C)OC

Isomeric SMILES

CC1=CC(=C(C(=C1S(=O)(=O)NC2=CN(N=C2)CSC3=CC=CC=C3)C)C)OC

InChI

InChI=1S/C20H23N3O3S2/c1-14-10-19(26-4)15(2)16(3)20(14)28(24,25)22-17-11-21-23(12-17)13-27-18-8-6-5-7-9-18/h5-12,22H,13H2,1-4H3