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

Systemtic Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Openeye Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide CAS Name: 4-[[1-oxo-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoylamino]benzamide Traditional Name: 4-[2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propanoylamino]benzamide Formula: C18H17N5O2S MolecularWeight: 367.42488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N5O2S/c1-11(17(25)20-14-9-7-12(8-10-14)15(19)24)26-18-21-16(22-23-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,24)(H,20,25)(H,21,22,23)