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

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-4-(2-furylmethyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylthio]-4-(2-furanylmethyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-4-(furan-2-ylmethyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methylthio]-4-(2-furfuryl)-1H-1,2,4-triazol-5-one Formula: C13H14N4O3S MolecularWeight: 306.34026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=NNC(=O)N2CC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=NNC(=O)N2CC3=CC=CO3

InChI

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