1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CSC3=NNC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N5O2S/c1-28-18-10-6-5-9-17(18)25-11-13-26(14-12-25)19(27)15-29-21-22-20(23-24-21)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,22,23,24)