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

Systemtic Name: 4-[2-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[2-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[[4-amino-5-(3-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(=CN=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=C(C=C3)C(=O)N

InChI

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