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

Systemtic Name: N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-tert-butylphenyl)propanamide CAS Name: N-(4-tert-butylphenyl)-2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-tert-butylphenyl)propanamide Traditional Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]-N-(4-tert-butylphenyl)propionamide Formula: C24H30N4OS MolecularWeight: 422.5862

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SC(C)C(=O)NC2=CC=C(C=C2)C(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C24H30N4OS/c1-6-28-21(16-18-10-8-7-9-11-18)26-27-23(28)30-17(2)22(29)25-20-14-12-19(13-15-20)24(3,4)5/h7-15,17H,6,16H2,1-5H3,(H,25,29)