1-(4-phenylpiperazin-1-yl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(3-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 1-(4-phenyl-1-piperazinyl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-phenylpiperazin-1-yl)-2-[[5-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(3-isopropoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-1-(4-phenylpiperazino)ethanone Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C2=NC(=NN2)SCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H27N5O2S/c1-17(2)30-20-10-6-7-18(15-20)22-24-23(26-25-22)31-16-21(29)28-13-11-27(12-14-28)19-8-4-3-5-9-19/h3-10,15,17H,11-14,16H2,1-2H3,(H,24,25,26)