3-(cyclohexylmethylsulfanyl)-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole

Systemtic Name: 3-(cyclohexylmethylsulfanyl)-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole Openeye Name: 3-(cyclohexylmethylsulfanyl)-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole CAS Name: 3-(cyclohexylmethylthio)-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole IUPAC Name: 3-(cyclohexylmethylsulfanyl)-5-[(2-methoxyphenyl)methyl]-1H-1,2,4-triazole Traditional Name: 3-(cyclohexylmethylthio)-5-o-anisyl-1H-1,2,4-triazole Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=NC(=NN2)SCC3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1CC2=NC(=NN2)SCC3CCCCC3

InChI

InChI=1S/C17H23N3OS/c1-21-15-10-6-5-9-14(15)11-16-18-17(20-19-16)22-12-13-7-3-2-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H,18,19,20)