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

Systemtic Name: N-(2-ethylphenyl)-2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-ethyl-5-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-ethylphenyl)acetamide CAS Name: N-(2-ethylphenyl)-2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[[4-ethyl-5-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[(4-ethyl-5-p-cumenyl-1,2,4-triazol-3-yl)thio]-N-(2-ethylphenyl)acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)CSC2=NN=C(N2CC)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C23H28N4OS/c1-5-17-9-7-8-10-20(17)24-21(28)15-29-23-26-25-22(27(23)6-2)19-13-11-18(12-14-19)16(3)4/h7-14,16H,5-6,15H2,1-4H3,(H,24,28)