N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide

Systemtic Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide Openeye Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide CAS Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridinyl]methyl]-5-methyl-4-nitro-2-thiophenecarboxamide IUPAC Name: N-[[6-(2,5-dimethylphenoxy)pyridin-3-yl]methyl]-5-methyl-4-nitrothiophene-2-carboxamide Traditional Name: N-[[6-(2,5-dimethylphenoxy)-3-pyridyl]methyl]-5-methyl-4-nitro-thiophene-2-carboxamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=CC(=C(S3)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC2=NC=C(C=C2)CNC(=O)C3=CC(=C(S3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4S/c1-12-4-5-13(2)17(8-12)27-19-7-6-15(10-21-19)11-22-20(24)18-9-16(23(25)26)14(3)28-18/h4-10H,11H2,1-3H3,(H,22,24)