3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propane-1-sulfonamide

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propane-1-sulfonamide Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propane-1-sulfonamide CAS Name: 3-(1,3-benzothiazol-2-ylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)-1-propanesulfonamide IUPAC Name: 3-(1,3-benzothiazol-2-ylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propane-1-sulfonamide Traditional Name: 3-(1,3-benzothiazol-2-ylthio)-N-(1,3,5-trimethylpyrazol-4-yl)propane-1-sulfonamide Formula: C16H20N4O2S3 MolecularWeight: 396.5506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=C(C(=NN1C)C)NS(=O)(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H20N4O2S3/c1-11-15(12(2)20(3)18-11)19-25(21,22)10-6-9-23-16-17-13-7-4-5-8-14(13)24-16/h4-5,7-8,19H,6,9-10H2,1-3H3