2,4-dinitrophenol; (2-methylphenyl)methyl carbamimidothioate

Systemtic Name: 2,4-dinitrophenol; (2-methylphenyl)methyl carbamimidothioate Openeye Name: 2,4-dinitrophenol; 2-(o-tolylmethyl)isothiourea CAS Name: carbamimidothioic acid (2-methylphenyl)methyl ester; 2,4-dinitrophenol IUPAC Name: 2,4-dinitrophenol; (2-methylphenyl)methyl carbamimidothioate Traditional Name: 2,4-dinitrophenol; 2-(2-methylbenzyl)isothiourea Formula: C15H16N4O5S MolecularWeight: 364.37634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

CC1=CC=CC=C1CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C9H12N2S.C6H4N2O5/c1-7-4-2-3-5-8(7)6-12-9(10)11;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h2-5H,6H2,1H3,(H3,10,11);1-3,9H