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

Systemtic Name: 5-nitro-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: 5-nitro-N-(4-pyridylmethyl)benzothiophene-2-carboxamide CAS Name: 5-nitro-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: 5-nitro-N-(pyridin-4-ylmethyl)-1-benzothiophene-2-carboxamide Traditional Name: 5-nitro-N-(4-pyridylmethyl)benzothiophene-2-carboxamide Formula: C15H11N3O3S MolecularWeight: 313.33114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)NCC3=CC=NC=C3

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C=C(S2)C(=O)NCC3=CC=NC=C3

InChI

InChI=1S/C15H11N3O3S/c19-15(17-9-10-3-5-16-6-4-10)14-8-11-7-12(18(20)21)1-2-13(11)22-14/h1-8H,9H2,(H,17,19)