N-[4-[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluoranyl-benzamide

Systemtic Name: N-[4-[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluoro-benzamide CAS Name: N-[4-[5-[[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[5-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluorobenzamide Traditional Name: N-[4-[5-[[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]phenyl]-4-fluoro-benzamide Formula: C28H26ClFN6O2S MolecularWeight: 565.061443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCN(CC2)C3=CC(=CC=C3)Cl)C4=CC=C(C=C4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26ClFN6O2S/c1-34-26(19-7-11-23(12-8-19)31-27(38)20-5-9-22(30)10-6-20)32-33-28(34)39-18-25(37)36-15-13-35(14-16-36)24-4-2-3-21(29)17-24/h2-12,17H,13-16,18H2,1H3,(H,31,38)