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

Systemtic Name: N-[4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Openeye Name: N-[4-[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide CAS Name: N-[4-[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide IUPAC Name: N-[4-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Traditional Name: N-[4-[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]phenyl]methanesulfonamide Formula: C16H17N5O2S2 MolecularWeight: 375.46848

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C16H17N5O2S2/c1-21-15(13-5-7-14(8-6-13)20-25(2,22)23)18-19-16(21)24-11-12-4-3-9-17-10-12/h3-10,20H,11H2,1-2H3