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

Systemtic Name: 3-[(2-methylphenoxy)methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione Openeye Name: 4-isopropyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-methylphenoxy)methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-methylphenoxy)methyl]-4-propan-2-yl-1H-1,2,4-triazole-5-thione Traditional Name: 4-isopropyl-3-[(2-methylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NNC(=S)N2C(C)C

Isomeric SMILES

CC1=CC=CC=C1OCC2=NNC(=S)N2C(C)C

InChI

InChI=1S/C13H17N3OS/c1-9(2)16-12(14-15-13(16)18)8-17-11-7-5-4-6-10(11)3/h4-7,9H,8H2,1-3H3,(H,15,18)