2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-diphenyl-ethanone

Systemtic Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-diphenyl-ethanone Openeye Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1,2-diphenyl-ethanone CAS Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1,2-diphenylethanone IUPAC Name: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1,2-diphenylethanone Traditional Name: 2-[[4-methyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1,2-diphenyl-ethanone Formula: C22H18N4OS MolecularWeight: 386.46952

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H18N4OS/c1-26-21(18-12-14-23-15-13-18)24-25-22(26)28-20(17-10-6-3-7-11-17)19(27)16-8-4-2-5-9-16/h2-15,20H,1H3