3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(5-tert-butyl-2-methyl-3-pyrazolyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(5-tert-butyl-2-methylpyrazol-3-yl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(5-tert-butyl-2-methyl-pyrazol-3-yl)propane-1-sulfonamide Formula: C18H24N4O2S3 MolecularWeight: 424.60376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C18H24N4O2S3/c1-18(2,3)15-12-16(22(4)20-15)21-27(23,24)11-7-10-25-17-19-13-8-5-6-9-14(13)26-17/h5-6,8-9,12,21H,7,10-11H2,1-4H3