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

Systemtic Name: 1-[4-(4-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[4-(4-fluorobenzoyl)-3-methyl-piperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[4-[(4-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[4-(4-fluorobenzoyl)-3-methylpiperazin-1-yl]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[4-(4-fluorobenzoyl)-3-methyl-piperazino]-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C29H28FN5O3S MolecularWeight: 545.627723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H28FN5O3S/c1-20-18-33(15-16-34(20)28(37)21-11-13-23(30)14-12-21)26(36)19-39-29-32-31-27(22-7-6-10-25(17-22)38-2)35(29)24-8-4-3-5-9-24/h3-14,17,20H,15-16,18-19H2,1-2H3