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

Systemtic Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanethione Openeye Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanethione CAS Name: [3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-(4-phenyl-1-piperazinyl)methanethione IUPAC Name: [3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]-(4-phenylpiperazin-1-yl)methanethione Traditional Name: [3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]-(4-phenylpiperazino)methanethione Formula: C27H26N4OS MolecularWeight: 454.58654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H26N4OS/c1-32-24-14-12-21(13-15-24)26-25(20-31(28-26)23-10-6-3-7-11-23)27(33)30-18-16-29(17-19-30)22-8-4-2-5-9-22/h2-15,20H,16-19H2,1H3