N-(2-ethyl-6-methyl-phenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-(2-isopropylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[[4-(2-propan-2-ylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[[4-o-cumenyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C27H29N5OS MolecularWeight: 471.61706

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3C(C)C)C4=CN=CC=C4)C

InChI

InChI=1S/C27H29N5OS/c1-5-20-11-8-10-19(4)25(20)29-24(33)17-34-27-31-30-26(21-12-9-15-28-16-21)32(27)23-14-7-6-13-22(23)18(2)3/h6-16,18H,5,17H2,1-4H3,(H,29,33)