2-[5-(4-methoxyphenyl)-4,4-dimethyl-3-oxidanyl-pentan-2-yl]-1H-1,2,4-triazole-3-thione

Systemtic Name: 2-[5-(4-methoxyphenyl)-4,4-dimethyl-3-oxidanyl-pentan-2-yl]-1H-1,2,4-triazole-3-thione Openeye Name: 2-[2-hydroxy-4-(4-methoxyphenyl)-1,3,3-trimethyl-butyl]-1H-1,2,4-triazole-3-thione CAS Name: 2-[3-hydroxy-5-(4-methoxyphenyl)-4,4-dimethylpentan-2-yl]-1H-1,2,4-triazole-3-thione IUPAC Name: 2-[3-hydroxy-5-(4-methoxyphenyl)-4,4-dimethylpentan-2-yl]-1H-1,2,4-triazole-3-thione Traditional Name: 2-[2-hydroxy-4-(4-methoxyphenyl)-1,3,3-trimethyl-butyl]-1H-1,2,4-triazole-3-thione Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C)(C)CC1=CC=C(C=C1)OC)O)N2C(=S)N=CN2

Isomeric SMILES

CC(C(C(C)(C)CC1=CC=C(C=C1)OC)O)N2C(=S)N=CN2

InChI

InChI=1S/C16H23N3O2S/c1-11(19-15(22)17-10-18-19)14(20)16(2,3)9-12-5-7-13(21-4)8-6-12/h5-8,10-11,14,20H,9H2,1-4H3,(H,17,18,22)