4-[3-[4-(2-methylpropyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine

Systemtic Name: 4-[3-[4-(2-methylpropyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Openeye Name: 4-[3-(4-isobutyl-5-propylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[3-[4-(2-methylpropyl)-5-(propylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[3-[4-(2-methylpropyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Traditional Name: 4-[3-[4-isobutyl-5-(propylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C19H28N4O3S2 MolecularWeight: 424.58062

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1CC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCSC1=NN=C(N1CC(C)C)C2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H28N4O3S2/c1-4-12-27-19-21-20-18(23(19)14-15(2)3)16-6-5-7-17(13-16)28(24,25)22-8-10-26-11-9-22/h5-7,13,15H,4,8-12,14H2,1-3H3