3-chloranyl-N-(4-iodanyl-3,5-dimethyl-phenyl)-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(4-iodanyl-3,5-dimethyl-phenyl)-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(4-iodo-3,5-dimethyl-phenyl)-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(4-iodo-3,5-dimethylphenyl)-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(4-iodo-3,5-dimethyl-phenyl)-7-nitro-benzothiophene-2-carboxamide Formula: C17H12ClIN2O3S MolecularWeight: 486.71125

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1I)C)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=CC(=C1I)C)NC(=O)C2=C(C3=C(S2)C(=CC=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClIN2O3S/c1-8-6-10(7-9(2)14(8)19)20-17(22)16-13(18)11-4-3-5-12(21(23)24)15(11)25-16/h3-7H,1-2H3,(H,20,22)