2-(4-methylphenyl)-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole

Systemtic Name: 2-(4-methylphenyl)-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole Openeye Name: 4-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-(p-tolyl)oxazole CAS Name: 2-(4-methylphenyl)-4-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]oxazole IUPAC Name: 2-(4-methylphenyl)-4-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-oxazole Traditional Name: 4-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-(p-tolyl)oxazole Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=COC(=N2)C3=CC=C(C=C3)C)C4=CC=NC=C4

Isomeric SMILES

CCCN1C(=NN=C1SCC2=COC(=N2)C3=CC=C(C=C3)C)C4=CC=NC=C4

InChI

InChI=1S/C21H21N5OS/c1-3-12-26-19(16-8-10-22-11-9-16)24-25-21(26)28-14-18-13-27-20(23-18)17-6-4-15(2)5-7-17/h4-11,13H,3,12,14H2,1-2H3