3-[(2-tert-butyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(2-tert-butyl-5-methyl-phenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(2-tert-butyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-tert-butyl-5-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-tert-butyl-5-methylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(2-tert-butyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C17H23N3OS MolecularWeight: 317.44902

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)(C)C)OCC2=NNC(=S)N2CC=C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)(C)C)OCC2=NNC(=S)N2CC=C

InChI

InChI=1S/C17H23N3OS/c1-6-9-20-15(18-19-16(20)22)11-21-14-10-12(2)7-8-13(14)17(3,4)5/h6-8,10H,1,9,11H2,2-5H3,(H,19,22)