propan-2-yl 2-[2-[[5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-[[5-(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-[[5-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[5-(4-chloro-1,5-dimethyl-3-pyrazolyl)-4-ethyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-[[5-(4-chloro-1,5-dimethylpyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[5-(4-chloro-1,5-dimethyl-pyrazol-3-yl)-4-ethyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C23H29ClN6O3S2 MolecularWeight: 537.09776

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C4=NN(C(=C4Cl)C)C

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC(C)C)C4=NN(C(=C4Cl)C)C

InChI

InChI=1S/C23H29ClN6O3S2/c1-6-30-20(19-18(24)13(4)29(5)28-19)26-27-23(30)34-11-16(31)25-21-17(22(32)33-12(2)3)14-9-7-8-10-15(14)35-21/h12H,6-11H2,1-5H3,(H,25,31)