1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]octan-1-one

Systemtic Name: 1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]octan-1-one Openeye Name: 1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]octan-1-one CAS Name: 1-[2-methyl-4-[1-oxo-2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]ethyl]-1-piperazinyl]-1-octanone IUPAC Name: 1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]octan-1-one Traditional Name: 1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazino]octan-1-one Formula: C27H35N5O2S2 MolecularWeight: 525.7291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

CCCCCCCC(=O)N1CCN(CC1C)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C27H35N5O2S2/c1-3-4-5-6-10-15-24(33)31-17-16-30(19-21(31)2)25(34)20-36-27-29-28-26(23-14-11-18-35-23)32(27)22-12-8-7-9-13-22/h7-9,11-14,18,21H,3-6,10,15-17,19-20H2,1-2H3