methyl N,N'-bis[(E)-(2-chloranyl-6-nitro-phenyl)methylideneamino]carbamimidothioate

Systemtic Name: methyl N,N'-bis[(E)-(2-chloranyl-6-nitro-phenyl)methylideneamino]carbamimidothioate Openeye Name: 1,3-bis[(E)-(2-chloro-6-nitro-phenyl)methyleneamino]-2-methyl-isothiourea CAS Name: N,N'-bis[(E)-(2-chloro-6-nitrophenyl)methylideneamino]carbamimidothioic acid methyl ester IUPAC Name: methyl N,N'-bis[(E)-(2-chloro-6-nitrophenyl)methylideneamino]carbamimidothioate Traditional Name: 1,3-bis[(E)-(2-chloro-6-nitro-benzylidene)amino]-2-methyl-isothiourea Formula: C16H12Cl2N6O4S MolecularWeight: 455.27528

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=NN=CC1=C(C=CC=C1Cl)[N+](=O)[O-])NN=CC2=C(C=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CS/C(=N/N=C/C1=C(C=CC=C1Cl)[N+](=O)[O-])/N/N=C/C2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H12Cl2N6O4S/c1-29-16(21-19-8-10-12(17)4-2-6-14(10)23(25)26)22-20-9-11-13(18)5-3-7-15(11)24(27)28/h2-9H,1H3,(H,21,22)/b19-8+,20-9+