(2R,3R)-2-(1-adamantylcarbonyl)-5-azanyl-3-pyridin-4-yl-2,3-dihydrothiophene-4-carbonitrile

Systemtic Name: (2R,3R)-2-(1-adamantylcarbonyl)-5-azanyl-3-pyridin-4-yl-2,3-dihydrothiophene-4-carbonitrile Openeye Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(4-pyridyl)-2,3-dihydrothiophene-4-carbonitrile CAS Name: (2R,3R)-2-[1-adamantyl(oxo)methyl]-5-amino-3-pyridin-4-yl-2,3-dihydrothiophene-4-carbonitrile IUPAC Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-pyridin-4-yl-2,3-dihydrothiophene-4-carbonitrile Traditional Name: (2R,3R)-2-(adamantane-1-carbonyl)-5-amino-3-(4-pyridyl)-2,3-dihydrothiophene-4-carbonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)C4C(C(=C(S4)N)C#N)C5=CC=NC=C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@@H](C(=C(S4)N)C#N)C5=CC=NC=C5

InChI

InChI=1S/C21H23N3OS/c22-11-16-17(15-1-3-24-4-2-15)18(26-20(16)23)19(25)21-8-12-5-13(9-21)7-14(6-12)10-21/h1-4,12-14,17-18H,5-10,23H2/t12?,13?,14?,17-,18-,21?/m1/s1