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

Systemtic Name: 4-[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]benzamide Openeye Name: 4-[[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide CAS Name: 4-[[1-oxo-2-[[4-phenyl-5-(2-pyrazinyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: 4-[[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzamide Traditional Name: 4-[[2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)thio]acetyl]amino]benzamide Formula: C21H17N7O2S MolecularWeight: 431.47038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)C4=NC=CN=C4

InChI

InChI=1S/C21H17N7O2S/c22-19(30)14-6-8-15(9-7-14)25-18(29)13-31-21-27-26-20(17-12-23-10-11-24-17)28(21)16-4-2-1-3-5-16/h1-12H,13H2,(H2,22,30)(H,25,29)