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

Systemtic Name: methyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate CAS Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 3-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=C(OC=C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=C(OC=C2)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C16H15N3O3S/c1-19-14(11-6-4-3-5-7-11)17-18-16(19)23-10-12-8-9-22-13(12)15(20)21-2/h3-9H,10H2,1-2H3