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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[[5-(4-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[[4-allyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-isoxazole Formula: C21H17ClN4OS MolecularWeight: 408.90388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4OS/c1-2-12-26-20(16-8-10-17(22)11-9-16)23-24-21(26)28-14-18-13-19(27-25-18)15-6-4-3-5-7-15/h2-11,13H,1,12,14H2