4-cyano-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzenesulfonamide

Systemtic Name: 4-cyano-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzenesulfonamide Openeye Name: 4-cyano-N-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]benzenesulfonamide CAS Name: 4-cyano-N-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzenesulfonamide IUPAC Name: 4-cyano-N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]benzenesulfonamide Traditional Name: 4-cyano-N-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]benzenesulfonamide Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNS(=O)(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H23N5O2S2/c1-13(2)12-22-16(20-21-17(22)25-3)5-4-10-19-26(23,24)15-8-6-14(11-18)7-9-15/h6-9,13,19H,4-5,10,12H2,1-3H3