3-cyclohexyl-4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-cyclohexyl-4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Openeye Name: 3-cyclohexyl-4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole CAS Name: 3-cyclohexyl-4-ethyl-5-[(3-methoxyphenyl)methylthio]-1,2,4-triazole IUPAC Name: 3-cyclohexyl-4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazole Traditional Name: 3-cyclohexyl-4-ethyl-5-(m-anisylthio)-1,2,4-triazole Formula: C18H25N3OS MolecularWeight: 331.4756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=CC=C2)OC)C3CCCCC3

InChI

InChI=1S/C18H25N3OS/c1-3-21-17(15-9-5-4-6-10-15)19-20-18(21)23-13-14-8-7-11-16(12-14)22-2/h7-8,11-12,15H,3-6,9-10,13H2,1-2H3