[[2-(3-cyanophenyl)carbonylphenyl]-bis(methylsulfanyl)azaniumyl]methanoate

Systemtic Name: [[2-(3-cyanophenyl)carbonylphenyl]-bis(methylsulfanyl)azaniumyl]methanoate Openeye Name: [[2-(3-cyanobenzoyl)phenyl]-bis(methylsulfanyl)ammonio]formate CAS Name: [[2-[(3-cyanophenyl)-oxomethyl]phenyl]-bis(methylthio)ammonio]formate IUPAC Name: [[2-(3-cyanobenzoyl)phenyl]-bis(methylsulfanyl)azaniumyl]formate Traditional Name: [[2-(3-cyanobenzoyl)phenyl]-bis(methylthio)ammonio]formate Formula: C17H14N2O3S2 MolecularWeight: 358.43466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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