[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone

Systemtic Name: [3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Openeye Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone CAS Name: [3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-[4-[2-(phenylthio)ethyl]-1-piperazinyl]methanone IUPAC Name: (1-benzyl-3,5-dimethylpyrazol-4-yl)-[4-(2-phenylsulfanylethyl)piperazin-1-yl]methanone Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)-[4-[2-(phenylthio)ethyl]piperazino]methanone Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)N3CCN(CC3)CCSC4=CC=CC=C4

InChI

InChI=1S/C25H30N4OS/c1-20-24(21(2)29(26-20)19-22-9-5-3-6-10-22)25(30)28-15-13-27(14-16-28)17-18-31-23-11-7-4-8-12-23/h3-12H,13-19H2,1-2H3