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

Systemtic Name: 3-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-isoxazole Formula: C20H17ClN4OS MolecularWeight: 396.89318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClN4OS/c1-2-25-19(15-9-6-10-16(21)11-15)22-23-20(25)27-13-17-12-18(26-24-17)14-7-4-3-5-8-14/h3-12H,2,13H2,1H3