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

Systemtic Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-morpholinosulfonylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-morpholinosulfonylbenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C16H22N4O4S2/c1-2-6-20-15(21)17-18-16(20)25-12-13-4-3-5-14(11-13)26(22,23)19-7-9-24-10-8-19/h3-5,11H,2,6-10,12H2,1H3,(H,17,21)