S-(1H-benzimidazol-2-yl) (NE)-N-[(5-nitrofuran-2-yl)methylidene]carbamothioate

Systemtic Name: S-(1H-benzimidazol-2-yl) (NE)-N-[(5-nitrofuran-2-yl)methylidene]carbamothioate Openeye Name: S-(1H-benzimidazol-2-yl) (NE)-N-[(5-nitro-2-furyl)methylene]carbamothioate CAS Name: (NE)-N-[(5-nitro-2-furanyl)methylidene]carbamothioic acid S-(1H-benzimidazol-2-yl) ester IUPAC Name: S-(1H-benzimidazol-2-yl) (NE)-N-[(5-nitrofuran-2-yl)methylidene]carbamothioate Traditional Name: (NE)-N-[(5-nitro-2-furyl)methylene]thiocarbamic acid S-(1H-benzimidazol-2-yl) ester Formula: C13H8N4O4S MolecularWeight: 316.29202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(=O)N=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(=O)/N=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C13H8N4O4S/c18-13(14-7-8-5-6-11(21-8)17(19)20)22-12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H,15,16)/b14-7+