4-butyl-3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(3-morpholinosulfonylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C17H24N4O4S2 MolecularWeight: 412.52686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C17H24N4O4S2/c1-2-3-7-21-16(22)18-19-17(21)26-13-14-5-4-6-15(12-14)27(23,24)20-8-10-25-11-9-20/h4-6,12H,2-3,7-11,13H2,1H3,(H,18,22)