N-(1-adamantyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(1-adamantyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(1-adamantyl)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(1-adamantyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(1-adamantyl)-2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H28N4OS MolecularWeight: 360.51682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=NN=C(N1CC=C)SC(C)C(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H28N4OS/c1-4-5-23-13(3)21-22-18(23)25-12(2)17(24)20-19-9-14-6-15(10-19)8-16(7-14)11-19/h4,12,14-16H,1,5-11H2,2-3H3,(H,20,24)