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

Systemtic Name: 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[5-(2-furyl)isoxazol-3-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[5-(2-furanyl)-3-isoxazolyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[5-(2-furyl)isoxazol-3-yl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H14N4O3S MolecularWeight: 306.34026

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NOC(=C2)C3=CC=CO3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NOC(=C2)C3=CC=CO3

InChI

InChI=1S/C13H14N4O3S/c1-2-5-17-12(18)14-15-13(17)21-8-9-7-11(20-16-9)10-4-3-6-19-10/h3-4,6-7H,2,5,8H2,1H3,(H,14,18)