N-[[5-(2-methyl-5-nitro-phenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[[5-(2-methyl-5-nitro-phenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[[5-(2-methyl-5-nitrophenyl)-2-furanyl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[[5-(2-methyl-5-nitrophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[[5-(2-methyl-5-nitro-phenyl)-2-furyl]methyleneamino]-5-nitro-benzothiophene-2-carboxamide Formula: C21H14N4O6S MolecularWeight: 450.42406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=C(O2)C=NNC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O6S/c1-12-2-3-15(25(29)30)10-17(12)18-6-5-16(31-18)11-22-23-21(26)20-9-13-8-14(24(27)28)4-7-19(13)32-20/h2-11H,1H3,(H,23,26)