N-(5-tert-butyl-2-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(5-tert-butyl-2-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(5-tert-butyl-2-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)OC)NC(=O)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-21(2,3)15-10-11-18(27-4)17(12-15)23-19(26)13-28-20-24-22-14-25(20)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3,(H,23,26)