ethyl N-[4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate

Systemtic Name: ethyl N-[4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-chromen-7-yl]carbamate Openeye Name: ethyl N-[4-[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxo-chromen-7-yl]carbamate CAS Name: N-[4-[[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-1-benzopyran-7-yl]carbamic acid ethyl ester IUPAC Name: ethyl N-[4-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxochromen-7-yl]carbamate Traditional Name: N-[4-[[[4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-2-keto-chromen-7-yl]carbamic acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC)C4=CC=NC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)OC3=C2C=CC(=C3)NC(=O)OCC)C4=CC=NC=C4

InChI

InChI=1S/C22H21N5O4S/c1-3-27-20(14-7-9-23-10-8-14)25-26-21(27)32-13-15-11-19(28)31-18-12-16(5-6-17(15)18)24-22(29)30-4-2/h5-12H,3-4,13H2,1-2H3,(H,24,29)