4-[[(2R)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]propanoyl]amino]benzamide Formula: C17H16N6O2S MolecularWeight: 368.41294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NNC(=N2)C3=CC=NC=C3

InChI

InChI=1S/C17H16N6O2S/c1-10(16(25)20-13-4-2-11(3-5-13)14(18)24)26-17-21-15(22-23-17)12-6-8-19-9-7-12/h2-10H,1H3,(H2,18,24)(H,20,25)(H,21,22,23)/t10-/m1/s1