3-chloranyl-N-pyren-1-yl-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-pyren-1-yl-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-pyren-1-yl-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(1-pyrenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-pyren-1-yl-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-pyren-1-yl-benzothiophene-2-carboxamide Formula: C25H14ClNOS MolecularWeight: 411.90276

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)NC3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3)Cl

InChI

InChI=1S/C25H14ClNOS/c26-23-18-6-1-2-7-20(18)29-24(23)25(28)27-19-13-11-16-9-8-14-4-3-5-15-10-12-17(19)22(16)21(14)15/h1-13H,(H,27,28)