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

Systemtic Name: methyl 3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(1-phenyl-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=C(C=CO1)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CO1)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

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