(1-ethyl-5-phenylmethoxy-pyrazol-4-yl)-[4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]methanone

Systemtic Name: (1-ethyl-5-phenylmethoxy-pyrazol-4-yl)-[4-methoxy-5-methyl-1,1-bis(oxidanylidene)-3,4-dihydro-2H-thiochromen-6-yl]methanone Openeye Name: (5-benzyloxy-1-ethyl-pyrazol-4-yl)-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methanone CAS Name: (1-ethyl-5-phenylmethoxy-4-pyrazolyl)-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-1-benzothiopyran-6-yl)methanone IUPAC Name: (1-ethyl-5-phenylmethoxypyrazol-4-yl)-(4-methoxy-5-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)methanone Traditional Name: (5-benzoxy-1-ethyl-pyrazol-4-yl)-(1,1-diketo-4-methoxy-5-methyl-3,4-dihydro-2H-thiochromen-6-yl)methanone Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C)OCC4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(C=N1)C(=O)C2=C(C3=C(C=C2)S(=O)(=O)CCC3OC)C)OCC4=CC=CC=C4

InChI

InChI=1S/C24H26N2O5S/c1-4-26-24(31-15-17-8-6-5-7-9-17)19(14-25-26)23(27)18-10-11-21-22(16(18)2)20(30-3)12-13-32(21,28)29/h5-11,14,20H,4,12-13,15H2,1-3H3