N-[(3-bromanyl-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(3-bromanyl-4-prop-2-ynoxy-phenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(3-bromo-4-prop-2-ynoxy-phenyl)methyleneamino]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(3-bromo-4-prop-2-ynoxyphenyl)methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[(3-bromo-4-propargyloxy-benzylidene)amino]-5-nitro-benzothiophene-2-carboxamide Formula: C19H12BrN3O4S MolecularWeight: 458.28528

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C19H12BrN3O4S/c1-2-7-27-16-5-3-12(8-15(16)20)11-21-22-19(24)18-10-13-9-14(23(25)26)4-6-17(13)28-18/h1,3-6,8-11H,7H2,(H,22,24)