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

Systemtic Name: 3-[5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[5-[2-(1-adamantyl)-2-oxo-ethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[5-[[2-(1-adamantyl)-2-oxoethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[5-[2-(1-adamantyl)-2-oxoethyl]sulfanyl-4-cyclopropyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[5-[[2-(1-adamantyl)-2-keto-ethyl]thio]-4-cyclopropyl-1,2,4-triazol-3-yl]propionamide Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)CCC(=O)N

Isomeric SMILES

C1CC1N2C(=NN=C2SCC(=O)C34CC5CC(C3)CC(C5)C4)CCC(=O)N

InChI

InChI=1S/C20H28N4O2S/c21-17(26)3-4-18-22-23-19(24(18)15-1-2-15)27-11-16(25)20-8-12-5-13(9-20)7-14(6-12)10-20/h12-15H,1-11H2,(H2,21,26)