2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC(C)C(=O)N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N4OS/c1-14-8-6-7-9-18(14)26-20(24-25-21(26)28-15(2)19(23)27)16-10-12-17(13-11-16)22(3,4)5/h6-13,15H,1-5H3,(H2,23,27)