N-[[4-(4-methylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide

Systemtic Name: N-[[4-(4-methylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Openeye Name: N-[[4-(p-tolyl)-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide CAS Name: N-[[4-(4-methylphenyl)-5-(2-pyridinylmethylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide IUPAC Name: N-[[4-(4-methylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Traditional Name: N-[[4-(p-tolyl)-5-(2-pyridylmethylthio)-1,2,4-triazol-3-yl]methyl]methanesulfonamide Formula: C17H19N5O2S2 MolecularWeight: 389.49506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=N3)CNS(=O)(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=N3)CNS(=O)(=O)C

InChI

InChI=1S/C17H19N5O2S2/c1-13-6-8-15(9-7-13)22-16(11-19-26(2,23)24)20-21-17(22)25-12-14-5-3-4-10-18-14/h3-10,19H,11-12H2,1-2H3