1-ethyl-3-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]thiourea

Systemtic Name: 1-ethyl-3-[[4-[(4-nitropyrazol-1-yl)methyl]phenyl]carbonylamino]thiourea Openeye Name: 1-ethyl-3-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea CAS Name: 1-ethyl-3-[[[4-[(4-nitro-1-pyrazolyl)methyl]phenyl]-oxomethyl]amino]thiourea IUPAC Name: 1-ethyl-3-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea Traditional Name: 1-ethyl-3-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]thiourea Formula: C14H16N6O3S MolecularWeight: 348.38024

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=S)NNC(=O)C1=CC=C(C=C1)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N6O3S/c1-2-15-14(24)18-17-13(21)11-5-3-10(4-6-11)8-19-9-12(7-16-19)20(22)23/h3-7,9H,2,8H2,1H3,(H,17,21)(H2,15,18,24)