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

Systemtic Name: 4-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Openeye Name: 4-[[4-(2-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide CAS Name: 4-[[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]benzamide IUPAC Name: 4-[[4-(2-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide Traditional Name: 4-[[[4-(2-methoxyphenyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]benzamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4

Isomeric SMILES

COC1=CC=CC=C1N2C(=NN=C2SCC3=CC=C(C=C3)C(=O)N)C4=CC=NC=C4

InChI

InChI=1S/C22H19N5O2S/c1-29-19-5-3-2-4-18(19)27-21(17-10-12-24-13-11-17)25-26-22(27)30-14-15-6-8-16(9-7-15)20(23)28/h2-13H,14H2,1H3,(H2,23,28)