[4-[[3,4-bis(chloranyl)-5-methyl-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2-ethyl-pyrazol-3-yl] propane-1-sulfonate

Systemtic Name: [4-[[3,4-bis(chloranyl)-5-methyl-3,4-dihydro-2H-thiochromen-6-yl]carbonyl]-2-ethyl-pyrazol-3-yl] propane-1-sulfonate Openeye Name: [4-(3,4-dichloro-5-methyl-thiochromane-6-carbonyl)-2-ethyl-pyrazol-3-yl] propane-1-sulfonate CAS Name: 1-propanesulfonic acid IUPAC Name: [4-(3,4-dichloro-5-methyl-3,4-dihydro-2H-thiochromene-6-carbonyl)-2-ethylpyrazol-3-yl] propane-1-sulfonate Traditional Name: propane-1-sulfonic acid [4-(3,4-dichloro-5-methyl-thiochroman-6-carbonyl)-2-ethyl-pyrazol-3-yl] ester Formula: C19H22Cl2N2O4S2 MolecularWeight: 477.42498

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)OC1=C(C=NN1CC)C(=O)C2=C(C3=C(C=C2)SCC(C3Cl)Cl)C

Isomeric SMILES

CCCS(=O)(=O)OC1=C(C=NN1CC)C(=O)C2=C(C3=C(C=C2)SCC(C3Cl)Cl)C

InChI

InChI=1S/C19H22Cl2N2O4S2/c1-4-8-29(25,26)27-19-13(9-22-23(19)5-2)18(24)12-6-7-15-16(11(12)3)17(21)14(20)10-28-15/h6-7,9,14,17H,4-5,8,10H2,1-3H3