4-chloranyl-2-[2-[(2-cyanophenyl)methylsulfanyl]ethyliminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[2-[(2-cyanophenyl)methylsulfanyl]ethyliminomethyl]-6-nitro-phenolate Openeye Name: 4-chloro-2-[2-[(2-cyanophenyl)methylsulfanyl]ethyliminomethyl]-6-nitro-phenolate CAS Name: 4-chloro-2-[2-[(2-cyanophenyl)methylthio]ethyliminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[2-[(2-cyanophenyl)methylsulfanyl]ethyliminomethyl]-6-nitrophenolate Traditional Name: 4-chloro-2-[2-[(2-cyanobenzyl)thio]ethyliminomethyl]-6-nitro-phenolate Formula: C17H13ClN3O3S- MolecularWeight: 374.82142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)CSCCN=CC2=CC(=CC(=C2[O-])[N+](=O)[O-])Cl)C#N

InChI

InChI=1S/C17H14ClN3O3S/c18-15-7-14(17(22)16(8-15)21(23)24)10-20-5-6-25-11-13-4-2-1-3-12(13)9-19/h1-4,7-8,10,22H,5-6,11H2/p-1