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

Systemtic Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C19H20N4O3S2 MolecularWeight: 416.5171

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C19H20N4O3S2/c1-3-23-18(15-7-5-4-6-8-15)20-21-19(23)27-13-17(24)14-9-11-16(12-10-14)22-28(2,25)26/h4-12,22H,3,13H2,1-2H3