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

Systemtic Name: 3-tert-butyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]pyrazole-4-sulfonamide Formula: C18H23N5O2S3 MolecularWeight: 437.60252

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCSC1=NN=C(S1)NS(=O)(=O)C2=CN(N=C2C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C18H23N5O2S3/c1-5-26-17-20-19-16(27-17)22-28(24,25)14-12-23(21-15(14)18(2,3)4)11-13-9-7-6-8-10-13/h6-10,12H,5,11H2,1-4H3,(H,19,22)