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

Systemtic Name: N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C18H18N4O3S2 MolecularWeight: 402.49052

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O3S2/c1-22-17(14-6-4-3-5-7-14)19-20-18(22)26-12-16(23)13-8-10-15(11-9-13)21-27(2,24)25/h3-11,21H,12H2,1-2H3