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

Systemtic Name: 2-methyl-1-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperazin-1-yl]propan-1-one Openeye Name: 2-methyl-1-[4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazin-1-yl]propan-1-one CAS Name: 2-methyl-1-[4-[1-oxo-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propyl]-1-piperazinyl]-1-propanone IUPAC Name: 2-methyl-1-[4-[3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanoyl]piperazin-1-yl]propan-1-one Traditional Name: 2-methyl-1-[4-[3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanoyl]piperazino]propan-1-one Formula: C17H23N5O2S2 MolecularWeight: 393.52682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C17H23N5O2S2/c1-12(2)16(24)21-9-7-20(8-10-21)14(23)5-6-22-15(18-19-17(22)25)13-4-3-11-26-13/h3-4,11-12H,5-10H2,1-2H3,(H,19,25)