(4Z)-2,2-bis(methoxymethyl)-4-[(2-methyl-3-sulfanyl-1H-pyridazin-6-yl)imino]chromen-3-one

Systemtic Name: (4Z)-2,2-bis(methoxymethyl)-4-[(2-methyl-3-sulfanyl-1H-pyridazin-6-yl)imino]chromen-3-one Openeye Name: (4Z)-2,2-bis(methoxymethyl)-4-[(2-methyl-3-sulfanyl-1H-pyridazin-6-yl)imino]chroman-3-one CAS Name: (4Z)-4-[(3-mercapto-2-methyl-1H-pyridazin-6-yl)imino]-2,2-bis(methoxymethyl)-3,4-dihydro-2H-1-benzopyran-3-one IUPAC Name: (4Z)-2,2-bis(methoxymethyl)-4-[(2-methyl-3-sulfanyl-1H-pyridazin-6-yl)imino]chromen-3-one Traditional Name: (4Z)-4-[(3-mercapto-2-methyl-1H-pyridazin-6-yl)imino]-2,2-bis(methoxymethyl)chroman-3-one Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=C(N1)N=C2C3=CC=CC=C3OC(C2=O)(COC)COC)S

Isomeric SMILES

CN1C(=CC=C(N1)/N=C\2/C3=CC=CC=C3OC(C2=O)(COC)COC)S

InChI

InChI=1S/C18H21N3O4S/c1-21-15(26)9-8-14(20-21)19-16-12-6-4-5-7-13(12)25-18(10-23-2,11-24-3)17(16)22/h4-9,20,26H,10-11H2,1-3H3/b19-16-