4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-5-oxidanyl-2-phenylsulfanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-5-oxidanyl-2-phenylsulfanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-5-hydroxy-2-phenylsulfanyl-cyclohexa-2,5-dien-1-one CAS Name: 4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-5-hydroxy-2-(phenylthio)-1-cyclohexa-2,5-dienone IUPAC Name: 4-[2,6-bis(2,4-dimethylphenyl)-1H-1,3,5-triazin-4-ylidene]-5-hydroxy-2-phenylsulfanylcyclohexa-2,5-dien-1-one Traditional Name: 4-[2,6-bis(2,4-dimethylphenyl)-1H-s-triazin-4-ylidene]-5-hydroxy-2-(phenylthio)cyclohexa-2,5-dien-1-one Formula: C31H27N3O2S MolecularWeight: 505.62998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=C3C=C(C(=O)C=C3O)SC4=CC=CC=C4)N=C(N2)C5=C(C=C(C=C5)C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=C3C=C(C(=O)C=C3O)SC4=CC=CC=C4)N=C(N2)C5=C(C=C(C=C5)C)C)C

InChI

InChI=1S/C31H27N3O2S/c1-18-10-12-23(20(3)14-18)29-32-30(24-13-11-19(2)15-21(24)4)34-31(33-29)25-16-28(27(36)17-26(25)35)37-22-8-6-5-7-9-22/h5-17,35H,1-4H3,(H,32,33,34)