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

Systemtic Name: methyl 5-[[4-azanyl-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[[4-amino-5-(3-fluorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C16H15FN4O3S MolecularWeight: 362.378703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)CSC2=NN=C(N2N)C3=CC(=CC=C3)F)C(=O)OC

InChI

InChI=1S/C16H15FN4O3S/c1-9-13(15(22)23-2)7-12(24-9)8-25-16-20-19-14(21(16)18)10-4-3-5-11(17)6-10/h3-7H,8,18H2,1-2H3