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

Systemtic Name: 1-[(4-bromanyl-1-methyl-pyrazol-3-yl)carbonylamino]-3-(4-nitrophenyl)thiourea Openeye Name: 1-[(4-bromo-1-methyl-pyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea CAS Name: 1-[[(4-bromo-1-methyl-3-pyrazolyl)-oxomethyl]amino]-3-(4-nitrophenyl)thiourea IUPAC Name: 1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-3-(4-nitrophenyl)thiourea Traditional Name: 1-[(4-bromo-1-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)C(=O)NNC(=S)NC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

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