N-(2,4-dimethylphenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(2,4-dimethylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(2,4-dimethylphenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(2,4-dimethylphenyl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(2,4-dimethylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(2,4-dimethylphenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C17H14N2O3S/c1-10-3-5-14(11(2)7-10)18-17(20)16-9-12-8-13(19(21)22)4-6-15(12)23-16/h3-9H,1-2H3,(H,18,20)