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

Systemtic Name: N-[4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetyl]phenyl]methanesulfonamide Formula: C15H20N4O4S2 MolecularWeight: 384.4737

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C15H20N4O4S2/c1-3-4-9-19-14(21)16-17-15(19)24-10-13(20)11-5-7-12(8-6-11)18-25(2,22)23/h5-8,18H,3-4,9-10H2,1-2H3,(H,16,21)