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

Systemtic Name: 4-propyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-[[5-(2-thienyl)isoxazol-3-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-propyl-3-[(5-thiophen-2-yl-3-isoxazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-propyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-propyl-3-[[5-(2-thienyl)isoxazol-3-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C13H14N4O2S2 MolecularWeight: 322.40586

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=NOC(=C2)C3=CC=CS3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=NOC(=C2)C3=CC=CS3

InChI

InChI=1S/C13H14N4O2S2/c1-2-5-17-12(18)14-15-13(17)21-8-9-7-10(19-16-9)11-4-3-6-20-11/h3-4,6-7H,2,5,8H2,1H3,(H,14,18)