N-(4-butylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide

Systemtic Name: N-(4-butylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide Openeye Name: N-(4-butylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide CAS Name: N-[4-(butylthio)phenyl]-1H-1,2,4-triazole-5-carboxamide IUPAC Name: N-(4-butylsulfanylphenyl)-1H-1,2,4-triazole-5-carboxamide Traditional Name: N-[4-(butylthio)phenyl]-1H-1,2,4-triazole-5-carboxamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NC(=O)C2=NC=NN2

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NC(=O)C2=NC=NN2

InChI

InChI=1S/C13H16N4OS/c1-2-3-8-19-11-6-4-10(5-7-11)16-13(18)12-14-9-15-17-12/h4-7,9H,2-3,8H2,1H3,(H,16,18)(H,14,15,17)