2-[[(2-methylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2-methylphenyl)carbamothioylamino]methyl]-4-nitro-phenolate Openeye Name: 4-nitro-2-[(o-tolylcarbamothioylamino)methyl]phenolate CAS Name: 2-[[[(2-methylanilino)-sulfanylidenemethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[(2-methylphenyl)carbamothioylamino]methyl]-4-nitrophenolate Traditional Name: 4-nitro-2-[(o-tolylthiocarbamoylamino)methyl]phenolate Formula: C15H14N3O3S- MolecularWeight: 316.35496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C15H15N3O3S/c1-10-4-2-3-5-13(10)17-15(22)16-9-11-8-12(18(20)21)6-7-14(11)19/h2-8,19H,9H2,1H3,(H2,16,17,22)/p-1