2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)ethanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)ethanamide Openeye Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)acetamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-sulfamoylphenyl)acetamide Traditional Name: 2-[[4-allyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(3-sulfamoylphenyl)acetamide Formula: C23H27N5O3S2 MolecularWeight: 485.62218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC=C)SCC(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C23H27N5O3S2/c1-5-13-28-21(16-9-11-17(12-10-16)23(2,3)4)26-27-22(28)32-15-20(29)25-18-7-6-8-19(14-18)33(24,30)31/h5-12,14H,1,13,15H2,2-4H3,(H,25,29)(H2,24,30,31)