N-[(4-cyanophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: N-[(4-cyanophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Openeye Name: N-[(4-cyanophenyl)methyl]-5-nitro-benzothiophene-2-carboxamide CAS Name: N-[(4-cyanophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide IUPAC Name: N-[(4-cyanophenyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide Traditional Name: N-(4-cyanobenzyl)-5-nitro-benzothiophene-2-carboxamide Formula: C17H11N3O3S MolecularWeight: 337.35254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H11N3O3S/c18-9-11-1-3-12(4-2-11)10-19-17(21)16-8-13-7-14(20(22)23)5-6-15(13)24-16/h1-8H,10H2,(H,19,21)