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

Systemtic Name: 3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(2-isopropyl-5-methyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C16H21N3OS MolecularWeight: 303.42244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3OS/c1-5-8-19-15(17-18-16(19)21)10-20-14-9-12(4)6-7-13(14)11(2)3/h5-7,9,11H,1,8,10H2,2-4H3,(H,18,21)