4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide

Systemtic Name: 4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C13H15N5O2S MolecularWeight: 305.3555

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CC1=NC(=NN1)SC(C)C(=O)NC2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C13H15N5O2S/c1-7(21-13-15-8(2)17-18-13)12(20)16-10-5-3-9(4-6-10)11(14)19/h3-7H,1-2H3,(H2,14,19)(H,16,20)(H,15,17,18)