1-(1,3-benzodioxol-5-yl)-3-(2-fluoranyl-5-nitro-phenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-fluoranyl-5-nitro-phenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-nitro-phenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-nitrophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-nitrophenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-fluoro-5-nitro-phenyl)thiourea Formula: C14H10FN3O4S MolecularWeight: 335.310303

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])F

InChI

InChI=1S/C14H10FN3O4S/c15-10-3-2-9(18(19)20)6-11(10)17-14(23)16-8-1-4-12-13(5-8)22-7-21-12/h1-6H,7H2,(H2,16,17,23)