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

Systemtic Name: 3-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[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)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2CC3=CC=CC=C3)SCCC(=O)N

InChI

InChI=1S/C22H26N4OS/c1-22(2,3)18-11-9-17(10-12-18)20-24-25-21(28-14-13-19(23)27)26(20)15-16-7-5-4-6-8-16/h4-12H,13-15H2,1-3H3,(H2,23,27)