[5-cyano-2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]pyridin-3-yl] methanesulfinate

Systemtic Name: [5-cyano-2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]pyridin-3-yl] methanesulfinate Openeye Name: [5-cyano-2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-3-pyridyl] methanesulfinate CAS Name: methanesulfinic acid [5-cyano-2-[[[3-(2,4-dimethylphenoxy)propylamino]-oxomethyl]hydrazo]-3-pyridinyl] ester IUPAC Name: [5-cyano-2-[2-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazinyl]pyridin-3-yl] methanesulfinate Traditional Name: methanesulfinic acid [5-cyano-2-[N'-[3-(2,4-dimethylphenoxy)propylcarbamoyl]hydrazino]-3-pyridyl] ester Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=C(C=C(C=N2)C#N)OS(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCNC(=O)NNC2=C(C=C(C=N2)C#N)OS(=O)C)C

InChI

InChI=1S/C19H23N5O4S/c1-13-5-6-16(14(2)9-13)27-8-4-7-21-19(25)24-23-18-17(28-29(3)26)10-15(11-20)12-22-18/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,22,23)(H2,21,24,25)