2-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-1-[4-(2-thenoyl)piperazino]ethanone Formula: C21H22ClN5O3S2 MolecularWeight: 492.01408

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)COC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)COC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN5O3S2/c1-25-18(13-30-16-6-4-15(22)5-7-16)23-24-21(25)32-14-19(28)26-8-10-27(11-9-26)20(29)17-3-2-12-31-17/h2-7,12H,8-11,13-14H2,1H3