1-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(4-propan-2-ylphenyl)carbonylpiperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(4-isopropylbenzoyl)piperazin-1-yl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone CAS Name: 1-[4-[oxo-(4-propan-2-ylphenyl)methyl]-1-piperazinyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-(4-cumoylpiperazino)-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]ethanone Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=NNC3=S)C4=CC=CS4

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(=O)N2CCN(CC2)C(=O)CN3C(=NNC3=S)C4=CC=CS4

InChI

InChI=1S/C22H25N5O2S2/c1-15(2)16-5-7-17(8-6-16)21(29)26-11-9-25(10-12-26)19(28)14-27-20(23-24-22(27)30)18-4-3-13-31-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,24,30)