2-[2-[(4-methylphenyl)methylsulfanyl]ethyliminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[2-[(4-methylphenyl)methylsulfanyl]ethyliminomethyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[2-(p-tolylmethylsulfanyl)ethyliminomethyl]phenolate CAS Name: 2-[2-[(4-methylphenyl)methylthio]ethyliminomethyl]-4-nitrophenolate IUPAC Name: 2-[2-[(4-methylphenyl)methylsulfanyl]ethyliminomethyl]-4-nitrophenolate Traditional Name: 2-[2-[(4-methylbenzyl)thio]ethyliminomethyl]-4-nitro-phenolate Formula: C17H17N2O3S- MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=C(C=C1)CSCCN=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H18N2O3S/c1-13-2-4-14(5-3-13)12-23-9-8-18-11-15-10-16(19(21)22)6-7-17(15)20/h2-7,10-11,20H,8-9,12H2,1H3/p-1