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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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