(2S)-2-(1-adamantylsulfanyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-isopropylpyrazol-3-yl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(2-propan-2-yl-3-pyrazolyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(2-isopropylpyrazol-3-yl)propionamide Formula: C19H29N3OS MolecularWeight: 347.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)C(C)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=NN1C(C)C)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H29N3OS/c1-12(2)22-17(4-5-20-22)21-18(23)13(3)24-19-9-14-6-15(10-19)8-16(7-14)11-19/h4-5,12-16H,6-11H2,1-3H3,(H,21,23)/t13-,14?,15?,16?,19?/m0/s1