3,6-bis(chloranyl)-N-pyren-1-yl-1-benzothiophene-2-carboxamide

Systemtic Name: 3,6-bis(chloranyl)-N-pyren-1-yl-1-benzothiophene-2-carboxamide Openeye Name: 3,6-dichloro-N-pyren-1-yl-benzothiophene-2-carboxamide CAS Name: 3,6-dichloro-N-(1-pyrenyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3,6-dichloro-N-pyren-1-yl-1-benzothiophene-2-carboxamide Traditional Name: 3,6-dichloro-N-pyren-1-yl-benzothiophene-2-carboxamide Formula: C25H13Cl2NOS MolecularWeight: 446.34782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC(=O)C5=C(C6=C(S5)C=C(C=C6)Cl)Cl

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)NC(=O)C5=C(C6=C(S5)C=C(C=C6)Cl)Cl

InChI

InChI=1S/C25H13Cl2NOS/c26-16-8-10-18-20(12-16)30-24(23(18)27)25(29)28-19-11-7-15-5-4-13-2-1-3-14-6-9-17(19)22(15)21(13)14/h1-12H,(H,28,29)