4-butyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[3-(2-methoxyphenyl)-5-isoxazolyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=CC=C3OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=CC=C3OC

InChI

InChI=1S/C17H20N4O3S/c1-3-4-9-21-16(22)18-19-17(21)25-11-12-10-14(20-24-12)13-7-5-6-8-15(13)23-2/h5-8,10H,3-4,9,11H2,1-2H3,(H,18,22)