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

Systemtic Name: 3-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-phenethyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-phenethyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(5-methyl-2-propan-2-ylphenoxy)methyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-[(2-isopropyl-5-methyl-phenoxy)methyl]-4-phenethyl-1H-1,2,4-triazole-5-thione Formula: C21H25N3OS MolecularWeight: 367.5077

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC2=NNC(=S)N2CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC2=NNC(=S)N2CCC3=CC=CC=C3

InChI

InChI=1S/C21H25N3OS/c1-15(2)18-10-9-16(3)13-19(18)25-14-20-22-23-21(26)24(20)12-11-17-7-5-4-6-8-17/h4-10,13,15H,11-12,14H2,1-3H3,(H,23,26)