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

Systemtic Name: methyl 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C15H13N3O3S/c1-20-14(19)12-8-7-11(21-12)9-22-15-16-13(17-18-15)10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,16,17,18)