4-[2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide

Systemtic Name: 4-[2-[(4-azanyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-amino-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-amino-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C16H15N7O2S MolecularWeight: 369.401

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)N)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC=C1C(=O)N)NC(=O)CSC2=NN=C(N2N)C3=CC=NC=C3

InChI

InChI=1S/C16H15N7O2S/c17-14(25)10-1-3-12(4-2-10)20-13(24)9-26-16-22-21-15(23(16)18)11-5-7-19-8-6-11/h1-8H,9,18H2,(H2,17,25)(H,20,24)