ethyl 2-[2-[[5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[[5-(4-chloranyl-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-(4-chloro-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[5-(4-chloro-1-methyl-3-pyrazolyl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[[5-(4-chloro-1-methylpyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(4-chloro-1-methyl-pyrazol-3-yl)-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H22ClFN6O3S2 MolecularWeight: 549.040583

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=NN(C=C4Cl)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)F)C4=NN(C=C4Cl)C

InChI

InChI=1S/C23H22ClFN6O3S2/c1-5-34-22(33)18-12(2)13(3)36-21(18)26-17(32)11-35-23-28-27-20(19-16(24)10-30(4)29-19)31(23)15-8-6-14(25)7-9-15/h6-10H,5,11H2,1-4H3,(H,26,32)