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

Systemtic Name: 1-(4-fluorophenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea Openeye Name: 1-(4-fluorophenyl)-3-(2-nitro-5-propylsulfanyl-phenyl)thiourea CAS Name: 1-(4-fluorophenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea IUPAC Name: 1-(4-fluorophenyl)-3-(2-nitro-5-propylsulfanylphenyl)thiourea Traditional Name: 1-(4-fluorophenyl)-3-[2-nitro-5-(propylthio)phenyl]thiourea Formula: C16H16FN3O2S2 MolecularWeight: 365.445543

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C16H16FN3O2S2/c1-2-9-24-13-7-8-15(20(21)22)14(10-13)19-16(23)18-12-5-3-11(17)4-6-12/h3-8,10H,2,9H2,1H3,(H2,18,19,23)