2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-4-nitro-phenolate

Systemtic Name: 2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]-4-nitro-phenolate Openeye Name: 2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]-4-nitro-phenolate CAS Name: 2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]-4-nitrophenolate IUPAC Name: 2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]-4-nitrophenolate Traditional Name: 2-[[2-[(3-methylbenzyl)thio]acetyl]amino]-4-nitro-phenolate Formula: C16H15N2O4S- MolecularWeight: 331.3663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H16N2O4S/c1-11-3-2-4-12(7-11)9-23-10-16(20)17-14-8-13(18(21)22)5-6-15(14)19/h2-8,19H,9-10H2,1H3,(H,17,20)/p-1