N-(4-methylsulfanylphenyl)-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-(4-methylsulfanylphenyl)-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[4-(methylthio)phenyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-(4-methylsulfanylphenyl)-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-[4-(methylthio)phenyl]-5-nitro-benzothiophene-2-carboxamide Formula: C16H12N2O3S2 MolecularWeight: 344.40808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H12N2O3S2/c1-22-13-5-2-11(3-6-13)17-16(19)15-9-10-8-12(18(20)21)4-7-14(10)23-15/h2-9H,1H3,(H,17,19)