2-methyl-2-phenyl-1-[4-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoyl]piperazin-1-yl]propan-1-one

Systemtic Name: 2-methyl-2-phenyl-1-[4-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanoyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-2-phenyl-1-[4-[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[1-oxo-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethyl]-1-piperazinyl]-2-phenyl-1-propanone IUPAC Name: 2-methyl-2-phenyl-1-[4-[2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-2-phenyl-1-[4-[2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetyl]piperazino]propan-1-one Formula: C22H25N5O2S2 MolecularWeight: 455.5962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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