(2S)-2-(1-adamantylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide

Systemtic Name: (2S)-2-(1-adamantylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Openeye Name: (2S)-2-(1-adamantylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide CAS Name: (2S)-2-(1-adamantylthio)-N-(1,3,5-trimethyl-4-pyrazolyl)propanamide IUPAC Name: (2S)-2-(1-adamantylsulfanyl)-N-(1,3,5-trimethylpyrazol-4-yl)propanamide Traditional Name: (2S)-2-(1-adamantylthio)-N-(1,3,5-trimethylpyrazol-4-yl)propionamide Formula: C19H29N3OS MolecularWeight: 347.51806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C(C)SC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)[C@H](C)SC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H29N3OS/c1-11-17(12(2)22(4)21-11)20-18(23)13(3)24-19-8-14-5-15(9-19)7-16(6-14)10-19/h13-16H,5-10H2,1-4H3,(H,20,23)/t13-,14?,15?,16?,19?/m0/s1