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

Systemtic Name: N-methyl-N-[4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-methyl-N-[4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide CAS Name: N-methyl-N-[4-[1-oxo-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]ethyl]phenyl]methanesulfonamide IUPAC Name: N-methyl-N-[4-[2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-amyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]-N-methyl-methanesulfonamide Formula: C17H24N4O3S2 MolecularWeight: 396.52746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)C2=CC=C(C=C2)N(C)S(=O)(=O)C

InChI

InChI=1S/C17H24N4O3S2/c1-4-5-6-11-21-13-18-19-17(21)25-12-16(22)14-7-9-15(10-8-14)20(2)26(3,23)24/h7-10,13H,4-6,11-12H2,1-3H3