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

Systemtic Name: 1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperazin-1-yl]-2-phenoxy-ethanone Openeye Name: 1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperazin-1-yl]-2-phenoxy-ethanone 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]-2-phenoxyethanone IUPAC Name: 1-[2-methyl-4-[2-[(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperazin-1-yl]-2-phenoxyethanone Traditional Name: 1-[2-methyl-4-[2-[[4-phenyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]piperazino]-2-phenoxy-ethanone Formula: C27H27N5O3S2 MolecularWeight: 533.66498

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CC1CN(CCN1C(=O)COC2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C27H27N5O3S2/c1-20-17-30(14-15-31(20)24(33)18-35-22-11-6-3-7-12-22)25(34)19-37-27-29-28-26(23-13-8-16-36-23)32(27)21-9-4-2-5-10-21/h2-13,16,20H,14-15,17-19H2,1H3