1-[(1-methylpyrazol-3-yl)carbonylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(1-methylpyrazol-3-yl)carbonylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(1-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(1-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(1-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(1-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea Formula: C12H12N6O3S MolecularWeight: 320.32708

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=N1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1C=CC(=N1)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H12N6O3S/c1-17-7-6-10(16-17)11(19)14-15-12(22)13-8-2-4-9(5-3-8)18(20)21/h2-7H,1H3,(H,14,19)(H2,13,15,22)