(2R)-1-(1-adamantyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: (2R)-1-(1-adamantyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: (2R)-1-(1-adamantyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: (2R)-1-(1-adamantyl)-2-[[4-methyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: (2R)-1-(1-adamantyl)-2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: (2R)-1-(1-adamantyl)-2-[[4-methyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C)C5=CN=CC=C5

Isomeric SMILES

C[C@H](C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NN=C(N4C)C5=CN=CC=C5

InChI

InChI=1S/C21H26N4OS/c1-13(18(26)21-9-14-6-15(10-21)8-16(7-14)11-21)27-20-24-23-19(25(20)2)17-4-3-5-22-12-17/h3-5,12-16H,6-11H2,1-2H3/t13-,14?,15?,16?,21?/m1/s1