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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Openeye Name: N-isobutyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(2-methylpropyl)propanamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylpropyl)propanamide Traditional Name: N-isobutyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C16H22N4O2S MolecularWeight: 334.43648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)SC1=NNC(=N1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)CNC(=O)C(C)SC1=NNC(=N1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H22N4O2S/c1-10(2)9-17-15(21)11(3)23-16-18-14(19-20-16)12-5-7-13(22-4)8-6-12/h5-8,10-11H,9H2,1-4H3,(H,17,21)(H,18,19,20)