[2-[[2,6-bis(chloranyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] carbamimidothioate

Systemtic Name: [2-[[2,6-bis(chloranyl)-4-nitro-phenyl]amino]-2-oxidanylidene-ethyl] carbamimidothioate Openeye Name: 2-carbamimidoylsulfanyl-N-(2,6-dichloro-4-nitro-phenyl)acetamide CAS Name: carbamimidothioic acid [2-(2,6-dichloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-dichloro-4-nitroanilino)-2-oxoethyl] carbamimidothioate Traditional Name: 2-(amidinothio)-N-(2,6-dichloro-4-nitro-phenyl)acetamide Formula: C9H8Cl2N4O3S MolecularWeight: 323.15582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1Cl)NC(=O)CSC(=N)N)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=C(C=C(C(=C1Cl)NC(=O)CSC(=N)N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C9H8Cl2N4O3S/c10-5-1-4(15(17)18)2-6(11)8(5)14-7(16)3-19-9(12)13/h1-2H,3H2,(H3,12,13)(H,14,16)