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

Systemtic Name: 1-(1-adamantyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-(1-adamantyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-(1-adamantyl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C23H29N3OS MolecularWeight: 395.56086

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C)SC(C)C(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3OS/c1-14-4-6-19(7-5-14)21-24-25-22(26(21)3)28-15(2)20(27)23-11-16-8-17(12-23)10-18(9-16)13-23/h4-7,15-18H,8-13H2,1-3H3