5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C17H16N3OS- MolecularWeight: 310.39344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)[S-])C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3)[S-])C

InChI

InChI=1S/C17H17N3OS/c1-12-8-9-15(10-13(12)2)21-11-16-18-19-17(22)20(16)14-6-4-3-5-7-14/h3-10H,11H2,1-2H3,(H,19,22)/p-1