2,2-bis(methoxymethyl)-4-[[1-(2-methylsulfanylethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-bis(methoxymethyl)-4-[[1-(2-methylsulfanylethyl)-6-oxidanylidene-pyridazin-3-yl]amino]-3-oxidanyl-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[[1-(2-methylsulfanylethyl)-6-oxo-pyridazin-3-yl]amino]chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[[1-[2-(methylthio)ethyl]-6-oxo-3-pyridazinyl]amino]-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-bis(methoxymethyl)-4-[[1-(2-methylsulfanylethyl)-6-oxopyridazin-3-yl]amino]-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-4-[[6-keto-1-[2-(methylthio)ethyl]pyridazin-3-yl]amino]-2,2-bis(methoxymethyl)chroman-6-carbonitrile Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)CCSC)O)COC

Isomeric SMILES

COCC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC3=NN(C(=O)C=C3)CCSC)O)COC

InChI

InChI=1S/C21H26N4O5S/c1-28-12-21(13-29-2)20(27)19(15-10-14(11-22)4-5-16(15)30-21)23-17-6-7-18(26)25(24-17)8-9-31-3/h4-7,10,19-20,27H,8-9,12-13H2,1-3H3,(H,23,24)