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

Systemtic Name: N-(4-tert-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-tert-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-tert-butylphenyl)-2-[[4-(2-methoxyphenyl)-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)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=CN2C3=CC=CC=C3OC

InChI

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