methyl 6-chloranyl-2-methyl-4-(2-nitrophenyl)-5-[(2-sulfanylphenyl)iminomethyl]pyridine-3-carboxylate

Systemtic Name: methyl 6-chloranyl-2-methyl-4-(2-nitrophenyl)-5-[(2-sulfanylphenyl)iminomethyl]pyridine-3-carboxylate Openeye Name: methyl 6-chloro-2-methyl-4-(2-nitrophenyl)-5-[(2-sulfanylphenyl)iminomethyl]pyridine-3-carboxylate CAS Name: 6-chloro-5-[(2-mercaptophenyl)iminomethyl]-2-methyl-4-(2-nitrophenyl)-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-methyl-4-(2-nitrophenyl)-5-[(2-sulfanylphenyl)iminomethyl]pyridine-3-carboxylate Traditional Name: 6-chloro-5-[(2-mercaptophenyl)iminomethyl]-2-methyl-4-(2-nitrophenyl)nicotinic acid methyl ester Formula: C21H16ClN3O4S MolecularWeight: 441.88744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C=NC3=CC=CC=C3S)Cl

Isomeric SMILES

CC1=NC(=C(C(=C1C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C=NC3=CC=CC=C3S)Cl

InChI

InChI=1S/C21H16ClN3O4S/c1-12-18(21(26)29-2)19(13-7-3-5-9-16(13)25(27)28)14(20(22)24-12)11-23-15-8-4-6-10-17(15)30/h3-11,30H,1-2H3