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

Systemtic Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenyl-benzamide Openeye Name: 4-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-N-phenyl-benzamide CAS Name: 4-[[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-N-phenylbenzamide IUPAC Name: 4-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-phenylbenzamide Traditional Name: 4-[[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-N-phenyl-benzamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N5OS/c1-27-20(17-11-13-23-14-12-17)25-26-22(27)29-15-16-7-9-18(10-8-16)21(28)24-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,24,28)