N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide

Systemtic Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)ethanamide Openeye Name: N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide CAS Name: N-[4-methoxy-3-(3-pyridinylmethoxy)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-2-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)acetamide Traditional Name: N-[4-methoxy-3-(3-pyridylmethoxy)phenyl]-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acetamide Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)OCC4=CN=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CN2C(=NNC2=S)C3=CC=CS3)OCC4=CN=CC=C4

InChI

InChI=1S/C21H19N5O3S2/c1-28-16-7-6-15(10-17(16)29-13-14-4-2-8-22-11-14)23-19(27)12-26-20(24-25-21(26)30)18-5-3-9-31-18/h2-11H,12-13H2,1H3,(H,23,27)(H,25,30)