N-(butylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(butylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(butylcarbamoyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-[butylamino(oxo)methyl]-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(butylcarbamoyl)-2-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(butylcarbamoyl)-2-[[5-(p-tolyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)NC(=O)CSC1=NNC(=N1)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H21N5O2S/c1-3-4-9-17-15(23)18-13(22)10-24-16-19-14(20-21-16)12-7-5-11(2)6-8-12/h5-8H,3-4,9-10H2,1-2H3,(H,19,20,21)(H2,17,18,22,23)