4-chloranyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenecarbothioamide

Systemtic Name: 4-chloranyl-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenecarbothioamide Openeye Name: 4-chloro-N-[(E)-(5-nitro-2-furyl)methyleneamino]benzenecarbothioamide CAS Name: 4-chloro-N-[(E)-(5-nitro-2-furanyl)methylideneamino]benzenecarbothioamide IUPAC Name: 4-chloro-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]benzenecarbothioamide Traditional Name: 4-chloro-N-[(E)-(5-nitro-2-furyl)methyleneamino]thiobenzamide Formula: C12H8ClN3O3S MolecularWeight: 309.72822

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=S)NN=CC2=CC=C(O2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1C(=S)N/N=C/C2=CC=C(O2)[N+](=O)[O-])Cl

InChI

InChI=1S/C12H8ClN3O3S/c13-9-3-1-8(2-4-9)12(20)15-14-7-10-5-6-11(19-10)16(17)18/h1-7H,(H,15,20)/b14-7+