3-chloranyl-7-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-[4-(4-pyridylmethyl)phenyl]benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-[4-(pyridin-4-ylmethyl)phenyl]-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-[4-(4-pyridylmethyl)phenyl]benzothiophene-2-carboxamide Formula: C21H14ClN3O3S MolecularWeight: 423.87216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC=C(C=C3)CC4=CC=NC=C4

InChI

InChI=1S/C21H14ClN3O3S/c22-18-16-2-1-3-17(25(27)28)19(16)29-20(18)21(26)24-15-6-4-13(5-7-15)12-14-8-10-23-11-9-14/h1-11H,12H2,(H,24,26)