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

Systemtic Name: ethyl 4-(3-chlorophenyl)-2',4'-diphenyl-spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate Openeye Name: ethyl 4-(3-chlorophenyl)-2',4'-diphenyl-spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate CAS Name: 4-(3-chlorophenyl)-2',4'-diphenyl-2-spiro[1,3,4-thiadiazole-5,1'-phthalazine]carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-chlorophenyl)-2',4'-diphenylspiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylate Traditional Name: 4-(3-chlorophenyl)-2',4'-diphenyl-spiro[1,3,4-thiadiazole-5,1'-phthalazine]-2-carboxylic acid ethyl ester Formula: C30H23ClN4O2S MolecularWeight: 539.04722

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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=CC=C5)C6=CC(=CC=C6)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H23ClN4O2S/c1-2-37-29(36)28-33-35(24-17-11-14-22(31)20-24)30(38-28)26-19-10-9-18-25(26)27(21-12-5-3-6-13-21)32-34(30)23-15-7-4-8-16-23/h3-20H,2H2,1H3