3-(1-adamantyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole

Systemtic Name: 3-(1-adamantyl)-4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazole Openeye Name: 3-(1-adamantyl)-5-benzylsulfanyl-4-methyl-1,2,4-triazole CAS Name: 3-(1-adamantyl)-4-methyl-5-(phenylmethylthio)-1,2,4-triazole IUPAC Name: 3-(1-adamantyl)-5-benzylsulfanyl-4-methyl-1,2,4-triazole Traditional Name: 3-(1-adamantyl)-5-(benzylthio)-4-methyl-1,2,4-triazole Formula: C20H25N3S MolecularWeight: 339.4976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C20H25N3S/c1-23-18(20-10-15-7-16(11-20)9-17(8-15)12-20)21-22-19(23)24-13-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3