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

Systemtic Name: 4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: 4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide CAS Name: 4-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: 4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: 4-[[(5-isopropyl-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:

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C13H16N4OS/c1-8(2)12-15-13(17-16-12)19-7-9-3-5-10(6-4-9)11(14)18/h3-6,8H,7H2,1-2H3,(H2,14,18)(H,15,16,17)