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

Systemtic Name: 5-methyl-3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 5-methyl-3-[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoxazole CAS Name: 5-methyl-3-[[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]isoxazole IUPAC Name: 5-methyl-3-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 5-methyl-3-[[[5-phenyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]isoxazole Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C20H18N4OS/c1-14-8-10-18(11-9-14)24-19(16-6-4-3-5-7-16)21-22-20(24)26-13-17-12-15(2)25-23-17/h3-12H,13H2,1-2H3