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

Systemtic Name: 3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[3-(2-methoxyphenyl)-5-isoxazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[3-(2-methoxyphenyl)isoxazol-5-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=CC=C3OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=CC=C3OC

InChI

InChI=1S/C16H18N4O3S/c1-3-8-20-15(21)17-18-16(20)24-10-11-9-13(19-23-11)12-6-4-5-7-14(12)22-2/h4-7,9H,3,8,10H2,1-2H3,(H,17,21)