3-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole

Systemtic Name: 3-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Openeye Name: 3-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-isoxazole CAS Name: 3-[[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-phenylisoxazole IUPAC Name: 3-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole Traditional Name: 3-[[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-phenyl-isoxazole Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=NOC(=C3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=NOC(=C3)C4=CC=CC=C4

InChI

InChI=1S/C19H15ClN4O2S/c1-25-16-8-7-13(20)9-15(16)18-21-19(23-22-18)27-11-14-10-17(26-24-14)12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,21,22,23)