2-(4-fluorophenyl)-1-[4-[2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methyl-piperazin-1-yl]ethanone

Systemtic Name: 2-(4-fluorophenyl)-1-[4-[2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]-2-methyl-piperazin-1-yl]ethanone Openeye Name: 2-(4-fluorophenyl)-1-[4-[2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methyl-piperazin-1-yl]ethanone CAS Name: 2-(4-fluorophenyl)-1-[4-[2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-2-methyl-1-piperazinyl]ethanone IUPAC Name: 2-(4-fluorophenyl)-1-[4-[2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-2-methylpiperazin-1-yl]ethanone Traditional Name: 2-(4-fluorophenyl)-1-[4-[2-[[5-(3-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-methyl-piperazino]ethanone Formula: C31H32FN5O4S MolecularWeight: 589.680283

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)CC2=CC=C(C=C2)F)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC(=CC=C5)OC

Isomeric SMILES

CC1CN(CCN1C(=O)CC2=CC=C(C=C2)F)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC(=CC=C5)OC

InChI

InChI=1S/C31H32FN5O4S/c1-21-19-35(15-16-36(21)28(38)17-22-7-9-24(32)10-8-22)29(39)20-42-31-34-33-30(23-5-4-6-27(18-23)41-3)37(31)25-11-13-26(40-2)14-12-25/h4-14,18,21H,15-17,19-20H2,1-3H3