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

Systemtic Name: N-[4-[2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Openeye Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide CAS Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]phenyl]methanesulfonamide Traditional Name: N-[4-[2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]propanoyl]phenyl]methanesulfonamide Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

Isomeric SMILES

CCCCN1C(=O)NN=C1SC(C)C(=O)C2=CC=C(C=C2)NS(=O)(=O)C

InChI

InChI=1S/C16H22N4O4S2/c1-4-5-10-20-15(22)17-18-16(20)25-11(2)14(21)12-6-8-13(9-7-12)19-26(3,23)24/h6-9,11,19H,4-5,10H2,1-3H3,(H,17,22)