6-methoxy-N-[3-[(4-methoxyphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]quinoline-2-carboxamide

Systemtic Name: 6-methoxy-N-[3-[(4-methoxyphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]quinoline-2-carboxamide Openeye Name: 6-methoxy-N-[3-[(4-methoxyphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]quinoline-2-carboxamide CAS Name: 6-methoxy-N-[3-[(4-methoxyphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-2-quinolinecarboxamide IUPAC Name: 6-methoxy-N-[3-[(4-methoxyphenoxy)methyl]-5-sulfanylidene-1H-1,2,4-triazol-4-yl]quinoline-2-carboxamide Traditional Name: 6-methoxy-N-[3-[(4-methoxyphenoxy)methyl]-5-thioxo-1H-1,2,4-triazol-4-yl]quinaldamide Formula: C21H19N5O4S MolecularWeight: 437.47166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=NC4=C(C=C3)C=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCC2=NNC(=S)N2NC(=O)C3=NC4=C(C=C3)C=C(C=C4)OC

InChI

InChI=1S/C21H19N5O4S/c1-28-14-4-6-15(7-5-14)30-12-19-23-24-21(31)26(19)25-20(27)18-9-3-13-11-16(29-2)8-10-17(13)22-18/h3-11H,12H2,1-2H3,(H,24,31)(H,25,27)