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

Systemtic Name: 3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-5-phenyl-isoxazole Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NOC(=C2)C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS/c1-2-25-20(13-16-9-5-3-6-10-16)22-23-21(25)27-15-18-14-19(26-24-18)17-11-7-4-8-12-17/h3-12,14H,2,13,15H2,1H3