1-(1,3-benzodioxol-5-yl)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H14ClN3O4S MolecularWeight: 403.83946

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H14ClN3O4S/c1-24-14-5-3-11(19)7-12(14)17-20-18(22-21-17)27-8-13(23)10-2-4-15-16(6-10)26-9-25-15/h2-7H,8-9H2,1H3,(H,20,21,22)