1-[(6-methoxy-5-nitro-pyridin-3-yl)carbonylamino]-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[(6-methoxy-5-nitro-pyridin-3-yl)carbonylamino]-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[(6-methoxy-5-nitro-pyridine-3-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[[(6-methoxy-5-nitro-3-pyridinyl)-oxomethyl]amino]-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[(6-methoxy-5-nitropyridine-3-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[(6-methoxy-5-nitro-nicotinoyl)amino]-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C15H12F3N5O4S MolecularWeight: 415.34709

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=N1)C(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=N1)C(=O)NNC(=S)NC2=CC=CC(=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H12F3N5O4S/c1-27-13-11(23(25)26)5-8(7-19-13)12(24)21-22-14(28)20-10-4-2-3-9(6-10)15(16,17)18/h2-7H,1H3,(H,21,24)(H2,20,22,28)