2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-sulfamoyl-phenyl)ethanamide

Systemtic Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-3-sulfamoyl-phenyl)ethanamide Openeye Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-sulfamoyl-phenyl)acetamide CAS Name: 2-[[5-cyclopropyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-(4-methyl-3-sulfamoylphenyl)acetamide IUPAC Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide Traditional Name: 2-[(4-benzyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-N-(4-methyl-3-sulfamoyl-phenyl)acetamide Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4CC4)S(=O)(=O)N

InChI

InChI=1S/C21H23N5O3S2/c1-14-7-10-17(11-18(14)31(22,28)29)23-19(27)13-30-21-25-24-20(16-8-9-16)26(21)12-15-5-3-2-4-6-15/h2-7,10-11,16H,8-9,12-13H2,1H3,(H,23,27)(H2,22,28,29)