1-[4-(diphenylmethyl)piperazin-1-yl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-1-yl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone CAS Name: 1-[4-(diphenylmethyl)-1-piperazinyl]-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-1-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzhydrylpiperazino)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone Formula: C23H25N5O3S MolecularWeight: 451.5413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)N2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O3S/c1-17-21(28(30)31)23(25-24-17)32-16-20(29)26-12-14-27(15-13-26)22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,22H,12-16H2,1H3,(H,24,25)