(4-nitrophenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-(3-chloranyl-4-fluoranyl-phenyl)carbamimidothioate Openeye Name: 3-(3-chloro-4-fluoro-phenyl)-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-(3-chloro-4-fluorophenyl)carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-(3-chloro-4-fluorophenyl)carbamimidothioate Traditional Name: 3-(3-chloro-4-fluoro-phenyl)-2-(4-nitrobenzyl)isothiourea Formula: C14H11ClFN3O2S MolecularWeight: 339.772443

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC(=NC2=CC(=C(C=C2)F)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC(=NC2=CC(=C(C=C2)F)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C14H11ClFN3O2S/c15-12-7-10(3-6-13(12)16)18-14(17)22-8-9-1-4-11(5-2-9)19(20)21/h1-7H,8H2,(H2,17,18)