3-[3-[2-(1-adamantyl)ethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-(1-adamantyl)ethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(1-adamantyl)ethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[2-(1-adamantyl)ethylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(1-adamantyl)ethylsulfanyl]-5-cyclopropyl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[2-(1-adamantyl)ethylthio]-5-cyclopropyl-1,2,4-triazol-4-yl]propionamide Formula: C20H30N4OS MolecularWeight: 374.5434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2CCC(=O)N)SCCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CC1C2=NN=C(N2CCC(=O)N)SCCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H30N4OS/c21-17(25)3-5-24-18(16-1-2-16)22-23-19(24)26-6-4-20-10-13-7-14(11-20)9-15(8-13)12-20/h13-16H,1-12H2,(H2,21,25)