2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-methoxypyridin-3-yl)methyl]ethanamide

Systemtic Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-methoxypyridin-3-yl)methyl]ethanamide Openeye Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2-methoxy-3-pyridyl)methyl]acetamide CAS Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-methoxy-3-pyridinyl)methyl]acetamide IUPAC Name: 2-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2-methoxypyridin-3-yl)methyl]acetamide Traditional Name: 2-[3-(4-methoxyphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2-methoxy-3-pyridyl)methyl]acetamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3=C(N=CC=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NNC(=S)N2CC(=O)NCC3=C(N=CC=C3)OC

InChI

InChI=1S/C18H19N5O3S/c1-25-14-7-5-12(6-8-14)16-21-22-18(27)23(16)11-15(24)20-10-13-4-3-9-19-17(13)26-2/h3-9H,10-11H2,1-2H3,(H,20,24)(H,22,27)