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

Systemtic Name: N-(butylcarbamoyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: N-(butylcarbamoyl)-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-[butylamino(oxo)methyl]-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: N-(butylcarbamoyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-(butylcarbamoyl)-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C18H25N5O2S MolecularWeight: 375.4884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2C)C

Isomeric SMILES

CCCCNC(=O)NC(=O)C(C)SC1=NN=C(N1C2=CC=CC=C2C)C

InChI

InChI=1S/C18H25N5O2S/c1-5-6-11-19-17(25)20-16(24)13(3)26-18-22-21-14(4)23(18)15-10-8-7-9-12(15)2/h7-10,13H,5-6,11H2,1-4H3,(H2,19,20,24,25)