methyl 4-(4-fluorophenyl)-2-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H19FN4O3S2 MolecularWeight: 506.571763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)OC

Isomeric SMILES

CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C(=CS4)C5=CC=C(C=C5)F)C(=O)OC

InChI

InChI=1S/C25H19FN4O3S2/c1-14-11-20-28-29-25(30(20)19-6-4-3-5-17(14)19)35-13-21(31)27-23-22(24(32)33-2)18(12-34-23)15-7-9-16(26)10-8-15/h3-12H,13H2,1-2H3,(H,27,31)