4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-(3-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(3-nitrophenyl)piperazine-1-carbothioamide Formula: C18H24N6O2S MolecularWeight: 388.48716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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