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

Systemtic Name: 1-(4-fluorophenyl)-3-(2-methyl-5-nitro-phenyl)thiourea Openeye Name: 1-(4-fluorophenyl)-3-(2-methyl-5-nitro-phenyl)thiourea CAS Name: 1-(4-fluorophenyl)-3-(2-methyl-5-nitrophenyl)thiourea IUPAC Name: 1-(4-fluorophenyl)-3-(2-methyl-5-nitrophenyl)thiourea Traditional Name: 1-(4-fluorophenyl)-3-(2-methyl-5-nitro-phenyl)thiourea Formula: C14H12FN3O2S MolecularWeight: 305.327383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C14H12FN3O2S/c1-9-2-7-12(18(19)20)8-13(9)17-14(21)16-11-5-3-10(15)4-6-11/h2-8H,1H3,(H2,16,17,21)