5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate

Systemtic Name: 5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazole-3-thiolate Formula: C16H14N3O2S- MolecularWeight: 312.36626

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)[S-])OC

InChI

InChI=1S/C16H15N3O2S/c1-20-13-9-8-11(10-14(13)21-2)15-17-18-16(22)19(15)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,18,22)/p-1