2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-cyclopropylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-cyclopropylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-[4-(cyclopropanecarbonyl)piperazin-1-yl]ethanone Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-[4-(cyclopropanecarbonyl)piperazino]ethanone Formula: C18H20ClN5O2S MolecularWeight: 405.9017

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N2CCN(CC2)C(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CC1C(=O)N2CCN(CC2)C(=O)CN3C(=NNC3=S)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5O2S/c19-14-5-3-12(4-6-14)16-20-21-18(27)24(16)11-15(25)22-7-9-23(10-8-22)17(26)13-1-2-13/h3-6,13H,1-2,7-11H2,(H,21,27)