3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide Formula: C17H21N5O2S2 MolecularWeight: 391.51094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(S1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5O2S2/c1-12-18-19-16(25-12)21-26(23,24)14-11-22(20-15(14)17(2,3)4)10-13-8-6-5-7-9-13/h5-9,11H,10H2,1-4H3,(H,19,21)