methyl 3-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]carbonylamino]-4-methyl-benzoate Openeye Name: methyl 3-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]-4-methyl-benzoate CAS Name: 3-[[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]-oxomethyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[1-(3-fluorophenyl)-5-thiophen-2-yl-1,2,4-triazole-3-carbonyl]amino]-4-methylbenzoate Traditional Name: 3-[[1-(3-fluorophenyl)-5-(2-thienyl)-1,2,4-triazole-3-carbonyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H17FN4O3S MolecularWeight: 436.458783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC(=CC=C4)F

InChI

InChI=1S/C22H17FN4O3S/c1-13-8-9-14(22(29)30-2)11-17(13)24-21(28)19-25-20(18-7-4-10-31-18)27(26-19)16-6-3-5-15(23)12-16/h3-12H,1-2H3,(H,24,28)