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

Systemtic Name: 4-methyl-N-[2-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[4-methyl-5-(3-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[4-methyl-5-(3-pyridinylmethylthio)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[4-methyl-5-(pyridin-3-ylmethylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[4-methyl-5-(3-pyridylmethylthio)-1,2,4-triazol-3-yl]ethyl]benzenesulfonamide Formula: C18H21N5O2S2 MolecularWeight: 403.52164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C(N2C)SCC3=CN=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC2=NN=C(N2C)SCC3=CN=CC=C3

InChI

InChI=1S/C18H21N5O2S2/c1-14-5-7-16(8-6-14)27(24,25)20-11-9-17-21-22-18(23(17)2)26-13-15-4-3-10-19-12-15/h3-8,10,12,20H,9,11,13H2,1-2H3