[4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-(3-ethyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-(3-ethyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]-2-methoxy-phenyl] ester Formula: C17H16N4O4S MolecularWeight: 372.39834

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=S)N1N=CC2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC

Isomeric SMILES

CCC1=NNC(=S)N1/N=C/C2=CC(=C(C=C2)OC(=O)C3=CC=CO3)OC

InChI

InChI=1S/C17H16N4O4S/c1-3-15-19-20-17(26)21(15)18-10-11-6-7-12(14(9-11)23-2)25-16(22)13-5-4-8-24-13/h4-10H,3H2,1-2H3,(H,20,26)/b18-10+