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

Systemtic Name: 2-[(4-butyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[(4-butyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[(4-butyl-5-keto-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4O3S/c1-2-3-13-25-20(27)23-24-21(25)29-15-19(26)22-17-9-11-18(12-10-17)28-14-16-7-5-4-6-8-16/h4-12H,2-3,13-15H2,1H3,(H,22,26)(H,23,27)