tert-butyl 5-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]pyridine-3-carboxylate

Systemtic Name: tert-butyl 5-[[3-chloranyl-4-(2-methylphenyl)carbothioyl-phenyl]amino]pyridine-3-carboxylate Openeye Name: tert-butyl 5-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]pyridine-3-carboxylate CAS Name: 5-[3-chloro-4-[(2-methylphenyl)-sulfanylidenemethyl]anilino]-3-pyridinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-[3-chloro-4-(2-methylbenzenecarbothioyl)anilino]pyridine-3-carboxylate Traditional Name: 5-[3-chloro-4-(2-methylthiobenzoyl)anilino]nicotinic acid tert-butyl ester Formula: C24H23ClN2O2S MolecularWeight: 438.96962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CN=CC(=C3)C(=O)OC(C)(C)C)Cl

Isomeric SMILES

CC1=CC=CC=C1C(=S)C2=C(C=C(C=C2)NC3=CN=CC(=C3)C(=O)OC(C)(C)C)Cl

InChI

InChI=1S/C24H23ClN2O2S/c1-15-7-5-6-8-19(15)22(30)20-10-9-17(12-21(20)25)27-18-11-16(13-26-14-18)23(28)29-24(2,3)4/h5-14,27H,1-4H3