(2,4-dinitrophenyl)methyl carbamimidothioate

Systemtic Name: (2,4-dinitrophenyl)methyl carbamimidothioate Openeye Name: 2-[(2,4-dinitrophenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (2,4-dinitrophenyl)methyl ester IUPAC Name: (2,4-dinitrophenyl)methyl carbamimidothioate Traditional Name: 2-(2,4-dinitrobenzyl)isothiourea Formula: C8H8N4O4S MolecularWeight: 256.23852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8N4O4S/c9-8(10)17-4-5-1-2-6(11(13)14)3-7(5)12(15)16/h1-3H,4H2,(H3,9,10)