(4-chloranylnaphthalen-1-yl)methyl carbamimidothioate; 2,4-dinitrophenol

Systemtic Name: (4-chloranylnaphthalen-1-yl)methyl carbamimidothioate; 2,4-dinitrophenol Openeye Name: 2-[(4-chloro-1-naphthyl)methyl]isothiourea; 2,4-dinitrophenol CAS Name: carbamimidothioic acid (4-chloro-1-naphthalenyl)methyl ester; 2,4-dinitrophenol IUPAC Name: (4-chloronaphthalen-1-yl)methyl carbamimidothioate; 2,4-dinitrophenol Traditional Name: 2-[(4-chloro-1-naphthyl)methyl]isothiourea; 2,4-dinitrophenol Formula: C18H15ClN4O5S MolecularWeight: 434.8535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2Cl)CSC(=N)N.C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O

InChI

InChI=1S/C12H11ClN2S.C6H4N2O5/c13-11-6-5-8(7-16-12(14)15)9-3-1-2-4-10(9)11;9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-6H,7H2,(H3,14,15);1-3,9H