4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]butan-1-one

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(3-fluorophenyl)carbonyl-3-methyl-piperazin-1-yl]butan-1-one Openeye Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(3-fluorobenzoyl)-3-methyl-piperazin-1-yl]butan-1-one CAS Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-[(3-fluorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-1-butanone IUPAC Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(3-fluorobenzoyl)-3-methylpiperazin-1-yl]butan-1-one Traditional Name: 4-[[5-(2-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-[4-(3-fluorobenzoyl)-3-methyl-piperazino]butan-1-one Formula: C30H29ClFN5O2S MolecularWeight: 578.099963

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5Cl

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)F)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5Cl

InChI

InChI=1S/C30H29ClFN5O2S/c1-21-20-35(16-17-36(21)29(39)22-9-7-10-23(32)19-22)27(38)15-8-18-40-30-34-33-28(25-13-5-6-14-26(25)31)37(30)24-11-3-2-4-12-24/h2-7,9-14,19,21H,8,15-18,20H2,1H3