1-(4-ethylpiperazin-1-yl)-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-ethyl-1-piperazinyl)-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-ethylpiperazin-1-yl)-2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-ethylpiperazino)-2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H27N5OS MolecularWeight: 421.55838

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4C

Isomeric SMILES

CCN1CCN(CC1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4C

InChI

InChI=1S/C23H27N5OS/c1-3-26-13-15-27(16-14-26)21(29)17-30-23-25-24-22(20-12-8-7-9-18(20)2)28(23)19-10-5-4-6-11-19/h4-12H,3,13-17H2,1-2H3