2-[3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate Formula: C16H11ClN3O4S2- MolecularWeight: 408.85924

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=CC(=C2)CSC3=NN=C(N3CC(=O)[O-])C4=CC=CS4)Cl

Isomeric SMILES

C1OC2=C(O1)C(=CC(=C2)CSC3=NN=C(N3CC(=O)[O-])C4=CC=CS4)Cl

InChI

InChI=1S/C16H12ClN3O4S2/c17-10-4-9(5-11-14(10)24-8-23-11)7-26-16-19-18-15(12-2-1-3-25-12)20(16)6-13(21)22/h1-5H,6-8H2,(H,21,22)/p-1