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

Systemtic Name: 3-[(4-chloranyl-3,5-dimethyl-phenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Openeye Name: 4-allyl-3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione Traditional Name: 4-allyl-3-[(4-chloro-3,5-dimethyl-phenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C14H16ClN3OS MolecularWeight: 309.81434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC2=NNC(=S)N2CC=C

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC2=NNC(=S)N2CC=C

InChI

InChI=1S/C14H16ClN3OS/c1-4-5-18-12(16-17-14(18)20)8-19-11-6-9(2)13(15)10(3)7-11/h4,6-7H,1,5,8H2,2-3H3,(H,17,20)