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

Systemtic Name: methyl 2-[2-[[4-butyl-5-(4-chloranyl-1-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-[[4-butyl-5-(4-chloro-1-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[[4-butyl-5-(4-chloro-1-methyl-3-pyrazolyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[[4-butyl-5-(4-chloro-1-methylpyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-[[4-butyl-5-(4-chloro-1-methyl-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C22H27ClN6O3S2 MolecularWeight: 523.07118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=NN(C=C4Cl)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C4=NN(C=C4Cl)C

InChI

InChI=1S/C22H27ClN6O3S2/c1-4-5-10-29-19(18-14(23)11-28(2)27-18)25-26-22(29)33-12-16(30)24-20-17(21(31)32-3)13-8-6-7-9-15(13)34-20/h11H,4-10,12H2,1-3H3,(H,24,30)