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

Systemtic Name: 4-cyclopropyl-3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[(3-morpholinosulfonylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C16H20N4O4S2 MolecularWeight: 396.4844

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=O)NN=C2SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

C1CC1N2C(=O)NN=C2SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C16H20N4O4S2/c21-15-17-18-16(20(15)13-4-5-13)25-11-12-2-1-3-14(10-12)26(22,23)19-6-8-24-9-7-19/h1-3,10,13H,4-9,11H2,(H,17,21)