(4E)-2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-2,3-dihydrothiochromen-6-yl]-propylsulfonyl-methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-2,3-dihydrothiochromen-6-yl]-propylsulfonyl-methylidene]pyrazol-3-one Openeye Name: (4E)-2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-thiochroman-6-yl]-propylsulfonyl-methylene]pyrazol-3-one CAS Name: (4E)-2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-2,3-dihydro-1-benzothiopyran-6-yl]-propylsulfonylmethylidene]-3-pyrazolone IUPAC Name: (4E)-2-ethyl-4-[[(4Z)-4-methoxyimino-5-methyl-2,3-dihydrothiochromen-6-yl]-propylsulfonylmethylidene]pyrazol-3-one Traditional Name: (4E)-2-ethyl-4-[[(4Z)-5-methyl-4-methyloximino-thiochroman-6-yl]-propylsulfonyl-methylene]-2-pyrazolin-3-one Formula: C20H25N3O4S2 MolecularWeight: 435.5602

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C(=C1C=NN(C1=O)CC)C2=C(C3=C(C=C2)SCCC3=NOC)C

Isomeric SMILES

CCCS(=O)(=O)/C(=C/1\C=NN(C1=O)CC)/C2=C(C\3=C(C=C2)SCC/C3=N/OC)C

InChI

InChI=1S/C20H25N3O4S2/c1-5-11-29(25,26)19(15-12-21-23(6-2)20(15)24)14-7-8-17-18(13(14)3)16(22-27-4)9-10-28-17/h7-8,12H,5-6,9-11H2,1-4H3/b19-15+,22-16-