[4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanethione

Systemtic Name: [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanethione Openeye Name: [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanethione CAS Name: [4-(4-fluorophenyl)-1-piperazinyl]-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methanethione IUPAC Name: [4-(4-fluorophenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanethione Traditional Name: [4-(4-fluorophenyl)piperazino]-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methanethione Formula: C27H25FN4OS MolecularWeight: 472.577003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2C(=S)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2C(=S)N3CCN(CC3)C4=CC=C(C=C4)F)C5=CC=CC=C5

InChI

InChI=1S/C27H25FN4OS/c1-33-24-13-7-20(8-14-24)26-25(19-32(29-26)23-5-3-2-4-6-23)27(34)31-17-15-30(16-18-31)22-11-9-21(28)10-12-22/h2-14,19H,15-18H2,1H3