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

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[4-phenethyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[(4-phenethyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[[4-phenethyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CN=CC=C4)OC

InChI

InChI=1S/C25H25N5O3S/c1-32-20-10-11-21(22(15-20)33-2)27-23(31)17-34-25-29-28-24(19-9-6-13-26-16-19)30(25)14-12-18-7-4-3-5-8-18/h3-11,13,15-16H,12,14,17H2,1-2H3,(H,27,31)