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

Systemtic Name: N-(4-bromophenyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Openeye Name: N-(4-bromophenyl)-4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: N-(4-bromophenyl)-4-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]benzamide IUPAC Name: N-(4-bromophenyl)-4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzamide Traditional Name: N-(4-bromophenyl)-4-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C22H18BrN5OS MolecularWeight: 480.38022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)C4=CC=NC=C4

InChI

InChI=1S/C22H18BrN5OS/c1-28-20(16-10-12-24-13-11-16)26-27-22(28)30-14-15-2-4-17(5-3-15)21(29)25-19-8-6-18(23)7-9-19/h2-13H,14H2,1H3,(H,25,29)