N-(3-butoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(3-butoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(3-butoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-butoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-butoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-butoxyphenyl)-2-[(5-ethyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC

Isomeric SMILES

CCCCOC1=CC=CC(=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC

InChI

InChI=1S/C22H26N4O2S/c1-3-5-14-28-19-13-9-10-17(15-19)23-21(27)16-29-22-25-24-20(4-2)26(22)18-11-7-6-8-12-18/h6-13,15H,3-5,14,16H2,1-2H3,(H,23,27)