5-(propoxymethyl)-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one

Systemtic Name: 5-(propoxymethyl)-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one Openeye Name: 5-(propoxymethyl)-3-[2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one CAS Name: 5-(propoxymethyl)-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one IUPAC Name: 5-(propoxymethyl)-3-[2-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one Traditional Name: 5-(propoxymethyl)-3-[2-(5-thioxo-1,2-dihydro-1,2,4-triazol-3-yl)ethyl]-3H-furan-2-one Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1=CC(C(=O)O1)CCC2=NC(=S)NN2

Isomeric SMILES

CCCOCC1=CC(C(=O)O1)CCC2=NC(=S)NN2

InChI

InChI=1S/C12H17N3O3S/c1-2-5-17-7-9-6-8(11(16)18-9)3-4-10-13-12(19)15-14-10/h6,8H,2-5,7H2,1H3,(H2,13,14,15,19)