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

Systemtic Name: 4-[4-methyl-3-(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Openeye Name: 4-[4-methyl-3-(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine CAS Name: 4-[4-methyl-3-[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine IUPAC Name: 4-[4-methyl-3-(4-phenyl-5-propylsulfanyl-1,2,4-triazol-3-yl)phenyl]sulfonylmorpholine Traditional Name: 4-[4-methyl-3-[4-phenyl-5-(propylthio)-1,2,4-triazol-3-yl]phenyl]sulfonylmorpholine Formula: C22H26N4O3S2 MolecularWeight: 458.59684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC=C2)C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)C

InChI

InChI=1S/C22H26N4O3S2/c1-3-15-30-22-24-23-21(26(22)18-7-5-4-6-8-18)20-16-19(10-9-17(20)2)31(27,28)25-11-13-29-14-12-25/h4-10,16H,3,11-15H2,1-2H3