4-[[N-cyano-N'-(2-fluorophenyl)carbamimidoyl]sulfanylmethyl]benzoic acid

Systemtic Name: 4-[[N-cyano-N'-(2-fluorophenyl)carbamimidoyl]sulfanylmethyl]benzoic acid Openeye Name: 4-[[N-cyano-N'-(2-fluorophenyl)carbamimidoyl]sulfanylmethyl]benzoic acid CAS Name: 4-[[[(cyanoamino)-(2-fluorophenyl)iminomethyl]thio]methyl]benzoic acid IUPAC Name: 4-[[N-cyano-N'-(2-fluorophenyl)carbamimidoyl]sulfanylmethyl]benzoic acid Traditional Name: 4-[[[N-cyano-N'-(2-fluorophenyl)amidino]thio]methyl]benzoic acid Formula: C16H12FN3O2S MolecularWeight: 329.348783

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N=C(NC#N)SCC2=CC=C(C=C2)C(=O)O)F

Isomeric SMILES

C1=CC=C(C(=C1)N=C(NC#N)SCC2=CC=C(C=C2)C(=O)O)F

InChI

InChI=1S/C16H12FN3O2S/c17-13-3-1-2-4-14(13)20-16(19-10-18)23-9-11-5-7-12(8-6-11)15(21)22/h1-8H,9H2,(H,19,20)(H,21,22)