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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C(=O)N)SC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C22H26N4OS/c1-15(19(23)27)28-21-25-24-20(26(21)14-16-8-6-5-7-9-16)17-10-12-18(13-11-17)22(2,3)4/h5-13,15H,14H2,1-4H3,(H2,23,27)