tert-butyl 2-[[4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2,6-bis(chloranyl)phenyl]-(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylate

Systemtic Name: tert-butyl 2-[[4-[3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]-2,6-bis(chloranyl)phenyl]-(4-chlorophenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxylate Openeye Name: tert-butyl 2-[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methyl]-4-phenyl-thiazole-5-carboxylate CAS Name: 2-[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methyl]-4-phenyl-5-thiazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-dioxo-1,2,4-triazin-2-yl)phenyl]methyl]-4-phenyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[(4-chlorophenyl)-[2,6-dichloro-4-(3,5-diketo-1,2,4-triazin-2-yl)phenyl]methyl]-4-phenyl-thiazole-5-carboxylic acid tert-butyl ester Formula: C30H23Cl3N4O4S MolecularWeight: 641.95202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=C(N=C(S1)C(C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3Cl)N4C(=O)NC(=O)C=N4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)C1=C(N=C(S1)C(C2=CC=C(C=C2)Cl)C3=C(C=C(C=C3Cl)N4C(=O)NC(=O)C=N4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C30H23Cl3N4O4S/c1-30(2,3)41-28(39)26-25(17-7-5-4-6-8-17)36-27(42-26)23(16-9-11-18(31)12-10-16)24-20(32)13-19(14-21(24)33)37-29(40)35-22(38)15-34-37/h4-15,23H,1-3H3,(H,35,38,40)