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

Systemtic Name: N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]naphthalene-2-sulfonamide Openeye Name: N-[3-(4-isobutyl-5-methylsulfanyl-1,2,4-triazol-3-yl)propyl]naphthalene-2-sulfonamide CAS Name: N-[3-[4-(2-methylpropyl)-5-(methylthio)-1,2,4-triazol-3-yl]propyl]-2-naphthalenesulfonamide IUPAC Name: N-[3-[4-(2-methylpropyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]propyl]naphthalene-2-sulfonamide Traditional Name: N-[3-[4-isobutyl-5-(methylthio)-1,2,4-triazol-3-yl]propyl]naphthalene-2-sulfonamide Formula: C20H26N4O2S2 MolecularWeight: 418.57604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SC)CCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)CN1C(=NN=C1SC)CCCNS(=O)(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C20H26N4O2S2/c1-15(2)14-24-19(22-23-20(24)27-3)9-6-12-21-28(25,26)18-11-10-16-7-4-5-8-17(16)13-18/h4-5,7-8,10-11,13,15,21H,6,9,12,14H2,1-3H3