2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide

Systemtic Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-yl-ethanamide Openeye Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-pyridyl)acetamide CAS Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridinyl)acetamide IUPAC Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-3-ylacetamide Traditional Name: 2-[[5-(3,4-dimethoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(3-pyridyl)acetamide Formula: C23H21N5O3S MolecularWeight: 447.50954

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CN=CC=C4)OC

InChI

InChI=1S/C23H21N5O3S/c1-30-19-11-10-16(13-20(19)31-2)22-26-27-23(28(22)18-8-4-3-5-9-18)32-15-21(29)25-17-7-6-12-24-14-17/h3-14H,15H2,1-2H3,(H,25,29)