4-[2,6-di(propan-2-yl)phenyl]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-[2,6-di(propan-2-yl)phenyl]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-(2,6-diisopropylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-[2,6-di(propan-2-yl)phenyl]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-[2,6-di(propan-2-yl)phenyl]-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-(2,6-diisopropylphenyl)-3-(phenoxymethyl)-1H-1,2,4-triazole-5-thione Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=NNC2=S)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)N2C(=NNC2=S)COC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-14(2)17-11-8-12-18(15(3)4)20(17)24-19(22-23-21(24)26)13-25-16-9-6-5-7-10-16/h5-12,14-15H,13H2,1-4H3,(H,23,26)