4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,6-bis[(3-methoxy-4-oxidanyl-phenyl)methylidene]thiomorpholine-3,5-dione

Systemtic Name: 4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,6-bis[(3-methoxy-4-oxidanyl-phenyl)methylidene]thiomorpholine-3,5-dione Openeye Name: 4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2,6-bis[(4-hydroxy-3-methoxy-phenyl)methylene]thiomorpholine-3,5-dione CAS Name: 4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]thiomorpholine-3,5-dione IUPAC Name: 4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]thiomorpholine-3,5-dione Traditional Name: 4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2,6-divanillylidene-thiomorpholine-3,5-quinone Formula: C31H27N3O7S MolecularWeight: 585.62698

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=C(C=C4)O)OC)SC(=CC5=CC(=C(C=C5)O)OC)C3=O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=O)C(=CC4=CC(=C(C=C4)O)OC)SC(=CC5=CC(=C(C=C5)O)OC)C3=O

InChI

InChI=1S/C31H27N3O7S/c1-18-28(31(39)34(32(18)2)21-8-6-5-7-9-21)33-29(37)26(16-19-10-12-22(35)24(14-19)40-3)42-27(30(33)38)17-20-11-13-23(36)25(15-20)41-4/h5-17,35-36H,1-4H3