4-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate

Systemtic Name: 4-[2-oxidanylidene-2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Openeye Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxo-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate CAS Name: 4-[2-(4-benzoyl-1-piperazinyl)-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate IUPAC Name: 4-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-5-thiophen-2-yl-1,2,4-triazole-3-thiolate Traditional Name: 4-[2-(4-benzoylpiperazino)-2-keto-ethyl]-5-(2-thienyl)-1,2,4-triazole-3-thiolate Formula: C19H18N5O2S2- MolecularWeight: 412.50852

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=NN=C2[S-])C3=CC=CS3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=NN=C2[S-])C3=CC=CS3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N5O2S2/c25-16(13-24-17(20-21-19(24)27)15-7-4-12-28-15)22-8-10-23(11-9-22)18(26)14-5-2-1-3-6-14/h1-7,12H,8-11,13H2,(H,21,27)/p-1