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

Systemtic Name: 3-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3H-furan-2-one Openeye Name: 3-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3H-furan-2-one CAS Name: 3-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3H-furan-2-one IUPAC Name: 3-[3-(phenoxymethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3H-furan-2-one Traditional Name: 3-[3-(phenoxymethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3H-furan-2-one Formula: C13H11N3O3S MolecularWeight: 289.30974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=NNC(=S)N2C3C=COC3=O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=NNC(=S)N2C3C=COC3=O

InChI

InChI=1S/C13H11N3O3S/c17-12-10(6-7-18-12)16-11(14-15-13(16)20)8-19-9-4-2-1-3-5-9/h1-7,10H,8H2,(H,15,20)