1-(2-azanyl-4-fluoranyl-phenyl)-3-[(3-nitrophenyl)methyl]thiourea

Systemtic Name: 1-(2-azanyl-4-fluoranyl-phenyl)-3-[(3-nitrophenyl)methyl]thiourea Openeye Name: 1-(2-amino-4-fluoro-phenyl)-3-[(3-nitrophenyl)methyl]thiourea CAS Name: 1-(2-amino-4-fluorophenyl)-3-[(3-nitrophenyl)methyl]thiourea IUPAC Name: 1-(2-amino-4-fluorophenyl)-3-[(3-nitrophenyl)methyl]thiourea Traditional Name: 1-(2-amino-4-fluoro-phenyl)-3-(3-nitrobenzyl)thiourea Formula: C14H13FN4O2S MolecularWeight: 320.342023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13FN4O2S/c15-10-4-5-13(12(16)7-10)18-14(22)17-8-9-2-1-3-11(6-9)19(20)21/h1-7H,8,16H2,(H2,17,18,22)