1-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-3-(4-nitrophenyl)thiourea

Systemtic Name: 1-[(4-bromanyl-2-methyl-pyrazol-3-yl)carbonylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(4-bromo-2-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(4-bromo-2-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(4-bromo-2-methyl-pyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea Formula: C12H11BrN6O3S MolecularWeight: 399.22314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN6O3S/c1-18-10(9(13)6-14-18)11(20)16-17-12(23)15-7-2-4-8(5-3-7)19(21)22/h2-6H,1H3,(H,16,20)(H2,15,17,23)