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

Systemtic Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]-1-[4-(phenylmethyl)piperazin-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone CAS Name: 2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]-1-[4-(phenylmethyl)-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-1-yl)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperazino)-2-[(5-methyl-4-nitro-1H-pyrazol-3-yl)thio]ethanone Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1)SCC(=O)N2CCN(CC2)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O3S/c1-13-16(22(24)25)17(19-18-13)26-12-15(23)21-9-7-20(8-10-21)11-14-5-3-2-4-6-14/h2-6H,7-12H2,1H3,(H,18,19)