2-(1-adamantyl)-6-(4-chlorophenyl)-7H-pyrrolo[3,4-b]pyridine-5-thione

Systemtic Name: 2-(1-adamantyl)-6-(4-chlorophenyl)-7H-pyrrolo[3,4-b]pyridine-5-thione Openeye Name: 2-(1-adamantyl)-6-(4-chlorophenyl)-7H-pyrrolo[3,4-b]pyridine-5-thione CAS Name: 2-(1-adamantyl)-6-(4-chlorophenyl)-7H-pyrrolo[3,4-b]pyridine-5-thione IUPAC Name: 2-(1-adamantyl)-6-(4-chlorophenyl)-7H-pyrrolo[3,4-b]pyridine-5-thione Traditional Name: 2-(1-adamantyl)-6-(4-chlorophenyl)-7H-pyrrolo[3,4-b]pyridine-5-thione Formula: C23H23ClN2S MolecularWeight: 394.96012

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=S)N(C5)C6=CC=C(C=C6)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=NC5=C(C=C4)C(=S)N(C5)C6=CC=C(C=C6)Cl

InChI

InChI=1S/C23H23ClN2S/c24-17-1-3-18(4-2-17)26-13-20-19(22(26)27)5-6-21(25-20)23-10-14-7-15(11-23)9-16(8-14)12-23/h1-6,14-16H,7-13H2