3-[(3,4-dimethylphenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-[(3,4-dimethylphenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-benzyl-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-[(3,4-dimethylphenoxy)methyl]-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-benzyl-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-benzyl-3-[(3,4-dimethylphenoxy)methyl]-1H-1,2,4-triazole-5-thione Formula: C18H19N3OS MolecularWeight: 325.42796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NNC(=S)N2CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NNC(=S)N2CC3=CC=CC=C3)C

InChI

InChI=1S/C18H19N3OS/c1-13-8-9-16(10-14(13)2)22-12-17-19-20-18(23)21(17)11-15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3,(H,20,23)