ethyl 2,6-dimethyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 2,6-dimethyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethyl-pyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-[[4-phenyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2,6-dimethylpyridine-3-carboxylate Traditional Name: 4-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)thio]-2,6-dimethyl-nicotinic acid ethyl ester Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C=C1SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C=C1SC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4)C)C

InChI

InChI=1S/C25H24N4O2S/c1-4-31-24(30)23-18(3)26-17(2)15-21(23)32-25-28-27-22(16-19-11-7-5-8-12-19)29(25)20-13-9-6-10-14-20/h5-15H,4,16H2,1-3H3