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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CN=C1)NC2=CC(=C(C=C2)C(=S)C3=CC=CC=C3C)Cl

Isomeric SMILES

CCCCOC(=O)C1=CC(=CN=C1)NC2=CC(=C(C=C2)C(=S)C3=CC=CC=C3C)Cl

InChI

InChI=1S/C24H23ClN2O2S/c1-3-4-11-29-24(28)17-12-19(15-26-14-17)27-18-9-10-21(22(25)13-18)23(30)20-8-6-5-7-16(20)2/h5-10,12-15,27H,3-4,11H2,1-2H3