1-adamantyl-(2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)methanone

Systemtic Name: 1-adamantyl-(2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)methanone Openeye Name: 1-adamantyl-(2,4-dimethyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methanone CAS Name: 1-adamantyl-(2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)methanone IUPAC Name: 1-adamantyl-(2,4-dimethyl-5-sulfanylidene-7H-pyrrolo[3,4-b]pyridin-6-yl)methanone Traditional Name: 1-adamantyl-(2,4-dimethyl-5-thioxo-7H-pyrrolo[3,4-b]pyridin-6-yl)methanone Formula: C20H24N2OS MolecularWeight: 340.48236

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=S)N(C2)C(=O)C34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1=CC(=NC2=C1C(=S)N(C2)C(=O)C34CC5CC(C3)CC(C5)C4)C

InChI

InChI=1S/C20H24N2OS/c1-11-3-12(2)21-16-10-22(18(24)17(11)16)19(23)20-7-13-4-14(8-20)6-15(5-13)9-20/h3,13-15H,4-10H2,1-2H3