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

Systemtic Name: ethyl 2-[2-[[5-(4-chloranyl-2,5-dimethyl-pyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[[5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[5-(4-chloro-2,5-dimethyl-3-pyrazolyl)-4-(2-methylpropyl)-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-2,5-dimethylpyrazol-3-yl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(4-chloro-2,5-dimethyl-pyrazol-3-yl)-4-isobutyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29ClN6O3S2 MolecularWeight: 525.08706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC(C)C)C3=C(C(=NN3C)C)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CSC2=NN=C(N2CC(C)C)C3=C(C(=NN3C)C)Cl

InChI

InChI=1S/C22H29ClN6O3S2/c1-8-32-21(31)16-12(4)14(6)34-20(16)24-15(30)10-33-22-26-25-19(29(22)9-11(2)3)18-17(23)13(5)27-28(18)7/h11H,8-10H2,1-7H3,(H,24,30)