5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-[4-(4-pyridylmethyl)phenyl]benzothiophene-2-carboxamide CAS Name: 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-[4-(4-pyridylmethyl)phenyl]benzothiophene-2-carboxamide Formula: C21H15N3O3S MolecularWeight: 389.4271

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC2=CC=NC=C2)NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O3S/c25-21(20-13-16-12-18(24(26)27)5-6-19(16)28-20)23-17-3-1-14(2-4-17)11-15-7-9-22-10-8-15/h1-10,12-13H,11H2,(H,23,25)