(4R,5R)-5-(1-adamantylcarbonyl)-2-azanylidene-4-pyridin-4-yl-thiolane-3-carbonitrile

Systemtic Name: (4R,5R)-5-(1-adamantylcarbonyl)-2-azanylidene-4-pyridin-4-yl-thiolane-3-carbonitrile Openeye Name: (4R,5R)-5-(adamantane-1-carbonyl)-2-imino-4-(4-pyridyl)tetrahydrothiophene-3-carbonitrile CAS Name: (4R,5R)-5-[1-adamantyl(oxo)methyl]-2-imino-4-pyridin-4-yl-3-thiolanecarbonitrile IUPAC Name: (4R,5R)-5-(adamantane-1-carbonyl)-2-imino-4-pyridin-4-ylthiolane-3-carbonitrile Traditional Name: (4R,5R)-5-(adamantane-1-carbonyl)-2-imino-4-(4-pyridyl)tetrahydrothiophene-3-carbonitrile Formula: C21H23N3OS MolecularWeight: 365.49182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)[C@H]4[C@H](C(C(=N)S4)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/h1-4,12-14,16-18,23H,5-10H2/t12?,13?,14?,16?,17-,18+,21?/m0/s1