(2S)-2-(1-adamantylsulfanyl)-N-(2-chloranylpyridin-3-yl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-chloranylpyridin-3-yl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-chloro-3-pyridyl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(2-chloro-3-pyridinyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-chloropyridin-3-yl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(2-chloro-3-pyridyl)propionamide Formula: C18H23ClN2OS MolecularWeight: 350.90602

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(N=CC=C1)Cl)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(N=CC=C1)Cl)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H23ClN2OS/c1-11(17(22)21-15-3-2-4-20-16(15)19)23-18-8-12-5-13(9-18)7-14(6-12)10-18/h2-4,11-14H,5-10H2,1H3,(H,21,22)/t11-,12?,13?,14?,18?/m0/s1