4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,6-bis(phenylmethylidene)thiomorpholine-3,5-dione

Systemtic Name: 4-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2,6-bis(phenylmethylidene)thiomorpholine-3,5-dione Openeye Name: 2,6-dibenzylidene-4-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)thiomorpholine-3,5-dione CAS Name: 4-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2,6-bis(phenylmethylene)thiomorpholine-3,5-dione IUPAC Name: 2,6-dibenzylidene-4-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)thiomorpholine-3,5-dione Traditional Name: 2,6-dibenzal-4-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)thiomorpholine-3,5-quinone Formula: C29H23N3O3S MolecularWeight: 493.57622

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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=CC=C4)SC(=CC5=CC=CC=C5)C3=O

Isomeric SMILES

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

InChI

InChI=1S/C29H23N3O3S/c1-20-26(29(35)32(30(20)2)23-16-10-5-11-17-23)31-27(33)24(18-21-12-6-3-7-13-21)36-25(28(31)34)19-22-14-8-4-9-15-22/h3-19H,1-2H3