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

Systemtic Name: 1-[(4-fluorophenyl)methyl]-3-(5-nitro-2-oxidanyl-phenyl)thiourea Openeye Name: 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-5-nitro-phenyl)thiourea CAS Name: 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-5-nitrophenyl)thiourea IUPAC Name: 1-[(4-fluorophenyl)methyl]-3-(2-hydroxy-5-nitrophenyl)thiourea Traditional Name: 1-(4-fluorobenzyl)-3-(2-hydroxy-5-nitro-phenyl)thiourea Formula: C14H12FN3O3S MolecularWeight: 321.326783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)F

Isomeric SMILES

C1=CC(=CC=C1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])O)F

InChI

InChI=1S/C14H12FN3O3S/c15-10-3-1-9(2-4-10)8-16-14(22)17-12-7-11(18(20)21)5-6-13(12)19/h1-7,19H,8H2,(H2,16,17,22)