4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(1,5-dimethyl-4-pyrazolyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C17H22N6O2S MolecularWeight: 374.46058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C)CN2CCN(CC2)C(=S)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H22N6O2S/c1-13-14(11-18-20(13)2)12-21-6-8-22(9-7-21)17(26)19-15-4-3-5-16(10-15)23(24)25/h3-5,10-11H,6-9,12H2,1-2H3,(H,19,26)