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

Systemtic Name: 3-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-5-(2-thienyl)isoxazole Formula: C17H13ClN4O2S2 MolecularWeight: 404.89372

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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=CS4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C17H13ClN4O2S2/c1-23-13-5-4-10(18)7-12(13)16-19-17(21-20-16)26-9-11-8-14(24-22-11)15-3-2-6-25-15/h2-8H,9H2,1H3,(H,19,20,21)