3-(2-bromanyl-5-methyl-phenyl)-4-methoxycarbothioyloxy-5-methyl-6-pyridin-3-yl-pyran-2-one

Systemtic Name: 3-(2-bromanyl-5-methyl-phenyl)-4-methoxycarbothioyloxy-5-methyl-6-pyridin-3-yl-pyran-2-one Openeye Name: 3-(2-bromo-5-methyl-phenyl)-4-methoxycarbothioyloxy-5-methyl-6-(3-pyridyl)pyran-2-one CAS Name: 3-(2-bromo-5-methylphenyl)-4-[methoxy(sulfanylidene)methoxy]-5-methyl-6-(3-pyridinyl)-2-pyranone IUPAC Name: 3-(2-bromo-5-methylphenyl)-4-methoxycarbothioyloxy-5-methyl-6-pyridin-3-ylpyran-2-one Traditional Name: 3-(2-bromo-5-methyl-phenyl)-4-methoxycarbothioyloxy-5-methyl-6-(3-pyridyl)pyran-2-one Formula: C20H16BrNO4S MolecularWeight: 446.31434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)Br)C2=C(C(=C(OC2=O)C3=CN=CC=C3)C)OC(=S)OC

Isomeric SMILES

CC1=CC(=C(C=C1)Br)C2=C(C(=C(OC2=O)C3=CN=CC=C3)C)OC(=S)OC

InChI

InChI=1S/C20H16BrNO4S/c1-11-6-7-15(21)14(9-11)16-18(26-20(27)24-3)12(2)17(25-19(16)23)13-5-4-8-22-10-13/h4-10H,1-3H3