4-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(2-furylmethyl)-3-(2-morpholino-2-oxo-ethyl)sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-(2-furanylmethyl)-3-[[2-(4-morpholinyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(furan-2-ylmethyl)-3-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(2-furfuryl)-3-[(2-keto-2-morpholino-ethyl)thio]-1H-1,2,4-triazol-5-one Formula: C13H16N4O4S MolecularWeight: 324.35554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CSC2=NNC(=O)N2CC3=CC=CO3

Isomeric SMILES

C1COCCN1C(=O)CSC2=NNC(=O)N2CC3=CC=CO3

InChI

InChI=1S/C13H16N4O4S/c18-11(16-3-6-20-7-4-16)9-22-13-15-14-12(19)17(13)8-10-2-1-5-21-10/h1-2,5H,3-4,6-9H2,(H,14,19)