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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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