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

Systemtic Name: 3-methyl-5-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 3-methyl-5-[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 3-methyl-5-[[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 3-methyl-5-[[4-(4-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 3-methyl-5-[[[4-(p-tolyl)-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C19H17N5OS MolecularWeight: 363.43618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=NO3)C)C4=CC=NC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC(=NO3)C)C4=CC=NC=C4

InChI

InChI=1S/C19H17N5OS/c1-13-3-5-16(6-4-13)24-18(15-7-9-20-10-8-15)21-22-19(24)26-12-17-11-14(2)23-25-17/h3-11H,12H2,1-2H3