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

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-ethanamide Openeye Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-acetamide CAS Name: 2-[[5-(4-tert-butylphenyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylacetamide Traditional Name: 2-[[4-benzyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-isopropyl-acetamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(C)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C24H30N4OS/c1-17(2)25-21(29)16-30-23-27-26-22(28(23)15-18-9-7-6-8-10-18)19-11-13-20(14-12-19)24(3,4)5/h6-14,17H,15-16H2,1-5H3,(H,25,29)