2-[5-methoxy-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]-N-phenethyl-ethanamide

Systemtic Name: 2-[5-methoxy-2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4-oxidanylidene-pyridin-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxo-1-pyridyl]-N-phenethyl-acetamide CAS Name: 2-[5-methoxy-2-[[(1-methyl-5-tetrazolyl)thio]methyl]-4-oxo-1-pyridinyl]-N-phenethylacetamide IUPAC Name: 2-[5-methoxy-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4-oxopyridin-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-keto-5-methoxy-2-[[(1-methyltetrazol-5-yl)thio]methyl]-1-pyridyl]-N-phenethyl-acetamide Formula: C19H22N6O3S MolecularWeight: 414.48138

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=O)C(=CN2CC(=O)NCCC3=CC=CC=C3)OC

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=O)C(=CN2CC(=O)NCCC3=CC=CC=C3)OC

InChI

InChI=1S/C19H22N6O3S/c1-24-19(21-22-23-24)29-13-15-10-16(26)17(28-2)11-25(15)12-18(27)20-9-8-14-6-4-3-5-7-14/h3-7,10-11H,8-9,12-13H2,1-2H3,(H,20,27)