4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: 4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: 4-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide Formula: C13H16N4OS MolecularWeight: 276.35734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCCC1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)N

InChI

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