N-[2-[4-[(3-butyl-5-oxidanylidene-1-phenethyl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide

Systemtic Name: N-[2-[4-[(3-butyl-5-oxidanylidene-1-phenethyl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Openeye Name: N-[2-[4-[(3-butyl-5-oxo-1-phenethyl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide CAS Name: N-[2-[4-[(3-butyl-5-oxo-1-phenethyl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide IUPAC Name: N-[2-[4-[(3-butyl-5-oxo-1-phenethyl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Traditional Name: N-[2-[4-[(3-butyl-5-keto-1-phenethyl-1,2,4-triazol-4-yl)methyl]phenyl]phenyl]sulfonylcyclopropanecarboxamide Formula: C31H34N4O4S MolecularWeight: 558.69106

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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)NC(=O)C4CC4)CCC5=CC=CC=C5

Isomeric SMILES

CCCCC1=NN(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=O)C4CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C31H34N4O4S/c1-2-3-13-29-32-35(21-20-23-9-5-4-6-10-23)31(37)34(29)22-24-14-16-25(17-15-24)27-11-7-8-12-28(27)40(38,39)33-30(36)26-18-19-26/h4-12,14-17,26H,2-3,13,18-22H2,1H3,(H,33,36)