N-(2-hydroxyethyl)-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide

Systemtic Name: N-(2-hydroxyethyl)-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(2-hydroxyethyl)-4-[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: N-(2-hydroxyethyl)-4-[[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(2-hydroxyethyl)-4-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(2-hydroxyethyl)-4-[[[4-phenyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C23H21N5O2S MolecularWeight: 431.51014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NCCO)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)NCCO)C4=CC=NC=C4

InChI

InChI=1S/C23H21N5O2S/c29-15-14-25-22(30)19-8-6-17(7-9-19)16-31-23-27-26-21(18-10-12-24-13-11-18)28(23)20-4-2-1-3-5-20/h1-13,29H,14-16H2,(H,25,30)