3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3-methoxypropyl)-5-methyl-1,2,4-triazole

Systemtic Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3-methoxypropyl)-5-methyl-1,2,4-triazole Openeye Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3-methoxypropyl)-5-methyl-1,2,4-triazole CAS Name: 3-[(4-tert-butylphenyl)methylthio]-4-(3-methoxypropyl)-5-methyl-1,2,4-triazole IUPAC Name: 3-[(4-tert-butylphenyl)methylsulfanyl]-4-(3-methoxypropyl)-5-methyl-1,2,4-triazole Traditional Name: 3-[(4-tert-butylbenzyl)thio]-4-(3-methoxypropyl)-5-methyl-1,2,4-triazole Formula: C18H27N3OS MolecularWeight: 333.49148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CCCOC)SCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=NN=C(N1CCCOC)SCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C18H27N3OS/c1-14-19-20-17(21(14)11-6-12-22-5)23-13-15-7-9-16(10-8-15)18(2,3)4/h7-10H,6,11-13H2,1-5H3