N-(4-tert-butylphenyl)-2-[[5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-tert-butylphenyl)-2-[[5-oxidanylidene-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(4-benzyloxyphenyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-tert-butylphenyl)acetamide CAS Name: N-(4-tert-butylphenyl)-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-tert-butylphenyl)-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(4-benzoxyphenyl)-5-keto-1H-1,2,4-triazol-3-yl]thio]-N-(4-tert-butylphenyl)acetamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H28N4O3S/c1-27(2,3)20-9-11-21(12-10-20)28-24(32)18-35-26-30-29-25(33)31(26)22-13-15-23(16-14-22)34-17-19-7-5-4-6-8-19/h4-16H,17-18H2,1-3H3,(H,28,32)(H,29,33)