2-[4-[(3-butyl-5-oxidanylidene-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]benzenesulfonamide

Systemtic Name: 2-[4-[(3-butyl-5-oxidanylidene-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]benzenesulfonamide Openeye Name: 2-[4-[(3-butyl-1-isopropyl-5-oxo-1,2,4-triazol-4-yl)methyl]phenyl]benzenesulfonamide CAS Name: 2-[4-[(3-butyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]benzenesulfonamide IUPAC Name: 2-[4-[(3-butyl-5-oxo-1-propan-2-yl-1,2,4-triazol-4-yl)methyl]phenyl]benzenesulfonamide Traditional Name: 2-[4-[(3-butyl-1-isopropyl-5-keto-1,2,4-triazol-4-yl)methyl]phenyl]benzenesulfonamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(C)C

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C(C)C

InChI

InChI=1S/C22H28N4O3S/c1-4-5-10-21-24-26(16(2)3)22(27)25(21)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)30(23,28)29/h6-9,11-14,16H,4-5,10,15H2,1-3H3,(H2,23,28,29)