1-(4-azanyl-3-nitro-phenyl)-3-[(4-fluorophenyl)methyl]thiourea

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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