[2-methyl-4-[2-(3-methylphenyl)carbonylhydrazinyl]-5-pyridin-2-yl-phenyl] methanesulfinate

Systemtic Name: [2-methyl-4-[2-(3-methylphenyl)carbonylhydrazinyl]-5-pyridin-2-yl-phenyl] methanesulfinate Openeye Name: [2-methyl-4-[2-(3-methylbenzoyl)hydrazino]-5-(2-pyridyl)phenyl] methanesulfinate CAS Name: methanesulfinic acid [2-methyl-4-[[(3-methylphenyl)-oxomethyl]hydrazo]-5-(2-pyridinyl)phenyl] ester IUPAC Name: [2-methyl-4-[2-(3-methylbenzoyl)hydrazinyl]-5-pyridin-2-ylphenyl] methanesulfinate Traditional Name: methanesulfinic acid [2-methyl-4-(N'-m-toluoylhydrazino)-5-(2-pyridyl)phenyl] ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC2=CC(=C(C=C2C3=CC=CC=N3)OS(=O)C)C

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC2=CC(=C(C=C2C3=CC=CC=N3)OS(=O)C)C

InChI

InChI=1S/C21H21N3O3S/c1-14-7-6-8-16(11-14)21(25)24-23-19-12-15(2)20(27-28(3)26)13-17(19)18-9-4-5-10-22-18/h4-13,23H,1-3H3,(H,24,25)