N-(2-butan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: N-(2-butan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-sec-butylphenyl)propanamide CAS Name: N-(2-butan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(2-butan-2-ylphenyl)-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-sec-butylphenyl)propionamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

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