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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NNC(=N2)C3=CC=CC=C3)C(=O)OC

InChI

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