1-(1-adamantyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C24H29N3OS MolecularWeight: 407.57156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN(C(=N4)C5CC5)C6=CC=CC=C6

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN(C(=N4)C5CC5)C6=CC=CC=C6

InChI

InChI=1S/C24H29N3OS/c1-15(21(28)24-12-16-9-17(13-24)11-18(10-16)14-24)29-23-25-22(19-7-8-19)27(26-23)20-5-3-2-4-6-20/h2-6,15-19H,7-14H2,1H3