ethyl 2',4-diphenyl-4'-(4-propan-2-ylphenyl)spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate

Systemtic Name: ethyl 2',4-diphenyl-4'-(4-propan-2-ylphenyl)spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate Openeye Name: ethyl 4'-(4-isopropylphenyl)-2',4-diphenyl-spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate CAS Name: 2',4-diphenyl-4'-(4-propan-2-ylphenyl)-2-spiro[1,3,4-thiadiazole-5,1'-phthalazine]carboxylic acid ethyl ester IUPAC Name: ethyl 2',4-diphenyl-4'-(4-propan-2-ylphenyl)spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate Traditional Name: 4'-p-cumenyl-2',4-diphenyl-spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylic acid ethyl ester Formula: C33H30N4O2S MolecularWeight: 546.6819

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)C6=CC=CC=C6

Isomeric SMILES

CCOC(=O)C1=NN(C2(S1)C3=CC=CC=C3C(=NN2C4=CC=CC=C4)C5=CC=C(C=C5)C(C)C)C6=CC=CC=C6

InChI

InChI=1S/C33H30N4O2S/c1-4-39-32(38)31-35-37(27-15-9-6-10-16-27)33(40-31)29-18-12-11-17-28(29)30(25-21-19-24(20-22-25)23(2)3)34-36(33)26-13-7-5-8-14-26/h5-23H,4H2,1-3H3