2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)ethanamide Openeye Name: N-(2-isopropylphenyl)-2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-(2-propan-2-ylphenyl)acetamide IUPAC Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-propan-2-ylphenyl)acetamide Traditional Name: 2-[[4-methyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]thio]-N-o-cumenyl-acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C)COC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-15(2)17-11-7-8-12-18(17)22-20(26)14-28-21-24-23-19(25(21)3)13-27-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,22,26)