pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)phenothiazine-10-carboxylate

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)phenothiazine-10-carboxylate Openeye Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)phenothiazine-10-carboxylate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-10-phenothiazinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)phenothiazine-10-carboxylate Traditional Name: 6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)phenothiazine-10-carboxylic acid pyridazin-4-yl ester Formula: C27H20ClN3O3S MolecularWeight: 501.984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=CC3=C(C=C2)N(C4=C(S3)C(=CC=C4)Cl)C(=O)OC5=CN=NC=C5)C6CC6

Isomeric SMILES

CC1=CC=CC(=C1OC2=CC3=C(C=C2)N(C4=C(S3)C(=CC=C4)Cl)C(=O)OC5=CN=NC=C5)C6CC6

InChI

InChI=1S/C27H20ClN3O3S/c1-16-4-2-5-20(17-8-9-17)25(16)33-18-10-11-22-24(14-18)35-26-21(28)6-3-7-23(26)31(22)27(32)34-19-12-13-29-30-15-19/h2-7,10-15,17H,8-9H2,1H3