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

Systemtic Name: 5-[[(3,5-dimethoxyphenyl)carbonylamino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Openeye Name: 5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate CAS Name: 5-[[[(3,5-dimethoxyphenyl)-oxomethyl]amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate IUPAC Name: 5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Traditional Name: 5-[[(3,5-dimethoxybenzoyl)amino]methyl]-4-phenyl-1,2,4-triazole-3-thiolate Formula: C18H17N4O3S- MolecularWeight: 369.41758

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)[S-])OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)NCC2=NN=C(N2C3=CC=CC=C3)[S-])OC

InChI

InChI=1S/C18H18N4O3S/c1-24-14-8-12(9-15(10-14)25-2)17(23)19-11-16-20-21-18(26)22(16)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,23)(H,21,26)/p-1