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

Systemtic Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-ethanamide Openeye Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-acetamide CAS Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]-N-methylacetamide IUPAC Name: 2-[[5-(1-adamantyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide Traditional Name: 2-[[5-(1-adamantyl)-4-allyl-1,2,4-triazol-3-yl]thio]-N-methyl-acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CSC1=NN=C(N1CC=C)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CNC(=O)CSC1=NN=C(N1CC=C)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C18H26N4OS/c1-3-4-22-16(20-21-17(22)24-11-15(23)19-2)18-8-12-5-13(9-18)7-14(6-12)10-18/h3,12-14H,1,4-11H2,2H3,(H,19,23)