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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CN=CC=C2)C3=CC=C(C=C3)NS(=O)(=O)C

InChI

InChI=1S/C17H19N5O2S2/c1-3-22-16(14-6-8-15(9-7-14)21-26(2,23)24)19-20-17(22)25-12-13-5-4-10-18-11-13/h4-11,21H,3,12H2,1-2H3