methyl 5-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C17H17N3O4S/c1-23-15(21)14-8-7-13(24-14)11-25-17-19-18-16(22)20(17)10-9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3,(H,18,22)