carboxy-[2-(4-cyanophenyl)carbonylphenyl]-bis(methylsulfanyl)azanium

Systemtic Name: carboxy-[2-(4-cyanophenyl)carbonylphenyl]-bis(methylsulfanyl)azanium Openeye Name: carboxy-[2-(4-cyanobenzoyl)phenyl]-bis(methylsulfanyl)ammonium CAS Name: carboxy-[2-[(4-cyanophenyl)-oxomethyl]phenyl]-bis(methylthio)ammonium IUPAC Name: carboxy-[2-(4-cyanobenzoyl)phenyl]-bis(methylsulfanyl)azanium Traditional Name: carboxy-[2-(4-cyanobenzoyl)phenyl]-bis(methylthio)ammonium Formula: C17H15N2O3S2+ MolecularWeight: 359.4426

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Descriptors Computed from Structure

Canonical SMILES:

CS[N+](C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C#N)(C(=O)O)SC

Isomeric SMILES

CS[N+](C1=CC=CC=C1C(=O)C2=CC=C(C=C2)C#N)(C(=O)O)SC

InChI

InChI=1S/C17H14N2O3S2/c1-23-19(24-2,17(21)22)15-6-4-3-5-14(15)16(20)13-9-7-12(11-18)8-10-13/h3-10H,1-2H3/p+1