1-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=CN4C5=CC=CC=C5

InChI

InChI=1S/C21H25N3OS/c1-14(26-20-23-22-13-24(20)18-5-3-2-4-6-18)19(25)21-10-15-7-16(11-21)9-17(8-15)12-21/h2-6,13-17H,7-12H2,1H3