(4-chloranyl-3-nitro-phenyl)methyl carbamimidothioate

Systemtic Name: (4-chloranyl-3-nitro-phenyl)methyl carbamimidothioate Openeye Name: 2-[(4-chloro-3-nitro-phenyl)methyl]isothiourea CAS Name: carbamimidothioic acid (4-chloro-3-nitrophenyl)methyl ester IUPAC Name: (4-chloro-3-nitrophenyl)methyl carbamimidothioate Traditional Name: 2-(4-chloro-3-nitro-benzyl)isothiourea Formula: C8H8ClN3O2S MolecularWeight: 245.68602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H8ClN3O2S/c9-6-2-1-5(4-15-8(10)11)3-7(6)12(13)14/h1-3H,4H2,(H3,10,11)