pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)thiomorpholine-4-carboxylate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)thiomorpholine-4-carboxylate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)thiomorpholine-4-carboxylate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-thiomorpholinecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)thiomorpholine-4-carboxylate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)thiomorpholine-4-carboxylic acid pyridazin-4-yl ester Formula: C19H20ClN3O3S MolecularWeight: 405.8984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2CSC(CN2C(=O)OC3=CN=NC=C3)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2CSC(CN2C(=O)OC3=CN=NC=C3)Cl)C4CC4

InChI

InChI=1S/C19H20ClN3O3S/c1-12-3-2-4-15(13-5-6-13)18(12)26-17-11-27-16(20)10-23(17)19(24)25-14-7-8-21-22-9-14/h2-4,7-9,13,16-17H,5-6,10-11H2,1H3