N-(4-bromanyl-2-methyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-bromanyl-2-methyl-phenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-bromo-2-methyl-phenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-(4-bromo-2-methylphenyl)-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-bromo-2-methylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-bromo-2-methyl-phenyl)-5-nitro-benzothiophene-2-carboxamide Formula: C16H11BrN2O3S MolecularWeight: 391.23914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11BrN2O3S/c1-9-6-11(17)2-4-13(9)18-16(20)15-8-10-7-12(19(21)22)3-5-14(10)23-15/h2-8H,1H3,(H,18,20)