4-(3,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(3,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(3,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(3,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(3,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(3,4-dimethylphenyl)-3-[(4-phenylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C23H21N3OS MolecularWeight: 387.49734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=NNC2=S)COC3=CC=C(C=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C23H21N3OS/c1-16-8-11-20(14-17(16)2)26-22(24-25-23(26)28)15-27-21-12-9-19(10-13-21)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,25,28)