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

Systemtic Name: N-[4-(1-adamantyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(1-adamantyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(1-adamantyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(1-adamantyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(1-adamantyl)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C27H30N4OS MolecularWeight: 458.6183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C27H30N4OS/c1-31-25(21-5-3-2-4-6-21)29-30-26(31)33-17-24(32)28-23-9-7-22(8-10-23)27-14-18-11-19(15-27)13-20(12-18)16-27/h2-10,18-20H,11-17H2,1H3,(H,28,32)