2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide

Systemtic Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Openeye Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide CAS Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)butanamide IUPAC Name: 2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)butanamide Traditional Name: 2-[(4-methyl-1,2,4-triazol-3-yl)thio]-N-(4-sulfamoylphenyl)butyramide Formula: C13H17N5O3S2 MolecularWeight: 355.43578

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NN=CN2C

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N)SC2=NN=CN2C

InChI

InChI=1S/C13H17N5O3S2/c1-3-11(22-13-17-15-8-18(13)2)12(19)16-9-4-6-10(7-5-9)23(14,20)21/h4-8,11H,3H2,1-2H3,(H,16,19)(H2,14,20,21)