1-(3-fluoranyl-4-methyl-phenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea

Systemtic Name: 1-(3-fluoranyl-4-methyl-phenyl)-3-[(5-nitro-2-oxidanyl-phenyl)methyl]thiourea Openeye Name: 1-(3-fluoro-4-methyl-phenyl)-3-[(2-hydroxy-5-nitro-phenyl)methyl]thiourea CAS Name: 1-(3-fluoro-4-methylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea IUPAC Name: 1-(3-fluoro-4-methylphenyl)-3-[(2-hydroxy-5-nitrophenyl)methyl]thiourea Traditional Name: 1-(3-fluoro-4-methyl-phenyl)-3-(2-hydroxy-5-nitro-benzyl)thiourea Formula: C15H14FN3O3S MolecularWeight: 335.353363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])O)F

InChI

InChI=1S/C15H14FN3O3S/c1-9-2-3-11(7-13(9)16)18-15(23)17-8-10-6-12(19(21)22)4-5-14(10)20/h2-7,20H,8H2,1H3,(H2,17,18,23)