N-(2,6-dimethylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[(4-phenethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[[4-phenethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C25H25N5OS MolecularWeight: 443.5639

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C25H25N5OS/c1-18-7-6-8-19(2)23(18)27-22(31)17-32-25-29-28-24(21-11-14-26-15-12-21)30(25)16-13-20-9-4-3-5-10-20/h3-12,14-15H,13,16-17H2,1-2H3,(H,27,31)