4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Openeye Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-N-(2-methoxy-4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-(2-methoxy-4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C19H26N6O3S MolecularWeight: 418.51314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N6O3S/c1-4-24-14(2)15(12-20-24)13-22-7-9-23(10-8-22)19(29)21-17-6-5-16(25(26)27)11-18(17)28-3/h5-6,11-12H,4,7-10,13H2,1-3H3,(H,21,29)