1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-thiophen-2-ylsulfanyl-propan-1-one

Systemtic Name: 1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-thiophen-2-ylsulfanyl-propan-1-one Openeye Name: 1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-1-yl]-2-(2-thienylsulfanyl)propan-1-one CAS Name: 1-[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazinyl]-2-(thiophen-2-ylthio)-1-propanone IUPAC Name: 1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]-2-thiophen-2-ylsulfanylpropan-1-one Traditional Name: 1-[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazino]-2-(2-thienylthio)propan-1-one Formula: C23H28N4OS2 MolecularWeight: 440.62462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C(C)SC4=CC=CS4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN3CCN(CC3)C(=O)C(C)SC4=CC=CS4

InChI

InChI=1S/C23H28N4OS2/c1-17-21(18(2)27(24-17)20-8-5-4-6-9-20)16-25-11-13-26(14-12-25)23(28)19(3)30-22-10-7-15-29-22/h4-10,15,19H,11-14,16H2,1-3H3