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

Systemtic Name: N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]phenyl]methanesulfonamide Formula: C17H17N5O3S2 MolecularWeight: 403.47858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=NC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=NC=C3

InChI

InChI=1S/C17H17N5O3S2/c1-22-16(13-7-9-18-10-8-13)19-20-17(22)26-11-15(23)12-3-5-14(6-4-12)21-27(2,24)25/h3-10,21H,11H2,1-2H3