4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzamide

Systemtic Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzamide Openeye Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-(1H-1,2,4-triazol-5-ylthio)propyl]amino]benzamide IUPAC Name: 4-[2-(1H-1,2,4-triazol-5-ylsulfanyl)propanoylamino]benzamide Traditional Name: 4-[2-(1H-1,2,4-triazol-5-ylthio)propanoylamino]benzamide Formula: C12H13N5O2S MolecularWeight: 291.32892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NN2

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC=NN2

InChI

InChI=1S/C12H13N5O2S/c1-7(20-12-14-6-15-17-12)11(19)16-9-4-2-8(3-5-9)10(13)18/h2-7H,1H3,(H2,13,18)(H,16,19)(H,14,15,17)