N-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide

Systemtic Name: N-[2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]benzamide Openeye Name: N-[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]benzamide CAS Name: N-[1-oxo-2-[[4-(phenylmethyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]ethyl]benzamide IUPAC Name: N-[2-[(4-benzyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]benzamide Traditional Name: N-[2-[[4-benzyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]acetyl]benzamide Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)NC(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C23H19N5O2S/c29-20(25-22(30)19-9-5-2-6-10-19)16-31-23-27-26-21(18-11-13-24-14-12-18)28(23)15-17-7-3-1-4-8-17/h1-14H,15-16H2,(H,25,29,30)