4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-3-methyl-4-pyrazolyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-3-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C18H24N6O2S MolecularWeight: 388.48716

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H24N6O2S/c1-3-23-13-15(14(2)20-23)12-21-7-9-22(10-8-21)18(27)19-16-5-4-6-17(11-16)24(25)26/h4-6,11,13H,3,7-10,12H2,1-2H3,(H,19,27)