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

Systemtic Name: 3-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-isoxazole CAS Name: 3-[[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,2-oxazole Traditional Name: 5-methyl-3-[[(5-phenyl-4-p-phenetyl-1,2,4-triazol-3-yl)thio]methyl]isoxazole Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)C4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=NN=C2SCC3=NOC(=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-3-26-19-11-9-18(10-12-19)25-20(16-7-5-4-6-8-16)22-23-21(25)28-14-17-13-15(2)27-24-17/h4-13H,3,14H2,1-2H3