N-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[5-(1H-benzimidazol-2-ylsulfanyl)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[5-(1H-benzimidazol-2-ylthio)-2-furanyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[5-(1H-benzimidazol-2-ylsulfanyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[5-(1H-benzimidazol-2-ylthio)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H13N5O4S2 MolecularWeight: 463.48902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)C=NNC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC3=CC=C(O3)C=NNC(=O)C4=CC5=C(S4)C=CC(=C5)[N+](=O)[O-]

InChI

InChI=1S/C21H13N5O4S2/c27-20(18-10-12-9-13(26(28)29)5-7-17(12)31-18)25-22-11-14-6-8-19(30-14)32-21-23-15-3-1-2-4-16(15)24-21/h1-11H,(H,23,24)(H,25,27)