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

Systemtic Name: N-(butylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(butylcarbamoyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(butylcarbamoyl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H23N5O2S MolecularWeight: 361.46182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NN=CN1C2=CC=CC=C2C

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NN=CN1C2=CC=CC=C2C

InChI

InChI=1S/C17H23N5O2S/c1-4-5-10-18-16(24)20-15(23)13(3)25-17-21-19-11-22(17)14-9-7-6-8-12(14)2/h6-9,11,13H,4-5,10H2,1-3H3,(H2,18,20,23,24)