1-(1-adamantyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1-adamantyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1-adamantyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(1-adamantyl)-2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C22H27N3OS MolecularWeight: 381.53428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H27N3OS/c1-15-23-24-21(25(15)13-16-5-3-2-4-6-16)27-14-20(26)22-10-17-7-18(11-22)9-19(8-17)12-22/h2-6,17-19H,7-14H2,1H3