(2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide

Systemtic Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Openeye Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide CAS Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-sulfamoylphenyl)propanamide IUPAC Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(3-sulfamoylphenyl)propanamide Traditional Name: (2S)-2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]-N-(3-sulfamoylphenyl)propionamide Formula: C15H21N5O3S2 MolecularWeight: 383.48894

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NNC(=N2)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)SC2=NNC(=N2)C(C)(C)C

InChI

InChI=1S/C15H21N5O3S2/c1-9(24-14-18-13(19-20-14)15(2,3)4)12(21)17-10-6-5-7-11(8-10)25(16,22)23/h5-9H,1-4H3,(H,17,21)(H2,16,22,23)(H,18,19,20)/t9-/m0/s1