2-[3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate

Systemtic Name: 2-[3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]ethanoate Openeye Name: 2-[3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate CAS Name: 2-[3-[(5-acetyl-2-methoxyphenyl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate IUPAC Name: 2-[3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-yl]acetate Traditional Name: 2-[3-[(5-acetyl-2-methoxy-benzyl)thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]acetate Formula: C18H16N3O4S2- MolecularWeight: 402.46734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC(=O)[O-])C3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NN=C(N2CC(=O)[O-])C3=CC=CS3

InChI

InChI=1S/C18H17N3O4S2/c1-11(22)12-5-6-14(25-2)13(8-12)10-27-18-20-19-17(15-4-3-7-26-15)21(18)9-16(23)24/h3-8H,9-10H2,1-2H3,(H,23,24)/p-1