N-(5-tert-butyl-2-oxidanyl-phenyl)-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-2-oxidanyl-phenyl)-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]ethanamide Openeye Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide IUPAC Name: N-(5-tert-butyl-2-hydroxyphenyl)-2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide Traditional Name: N-(5-tert-butyl-2-hydroxy-phenyl)-2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4O2S/c1-20(2,3)13-6-9-16(26)15(10-13)22-17(27)11-25-18(23-24-19(25)28)12-4-7-14(21)8-5-12/h4-10,26H,11H2,1-3H3,(H,22,27)(H,24,28)