1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone

Systemtic Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone Openeye Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylsulfanyl]ethanone CAS Name: 1-[4-(2,5-dimethylphenyl)-1-piperazinyl]-2-[[1-phenyl-5-(1-pyrrolyl)-4-pyrazolyl]methylthio]ethanone IUPAC Name: 1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-[(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methylsulfanyl]ethanone Traditional Name: 1-[4-(2,5-dimethylphenyl)piperazino]-2-[(1-phenyl-5-pyrrol-1-yl-pyrazol-4-yl)methylthio]ethanone Formula: C28H31N5OS MolecularWeight: 485.64364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)C(=O)CSCC3=C(N(N=C3)C4=CC=CC=C4)N5C=CC=C5

InChI

InChI=1S/C28H31N5OS/c1-22-10-11-23(2)26(18-22)30-14-16-31(17-15-30)27(34)21-35-20-24-19-29-33(25-8-4-3-5-9-25)28(24)32-12-6-7-13-32/h3-13,18-19H,14-17,20-21H2,1-2H3