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

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-[(4-phenyl-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=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CSC3=NN=CN3C4=CC=CC=C4

InChI

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