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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NC(=NN2)SCC3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NC(=NN2)SCC3CCCCC3

InChI

InChI=1S/C17H23N3OS/c1-21-15-9-7-13(8-10-15)11-16-18-17(20-19-16)22-12-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,18,19,20)