ethyl 5-[2,6-bis(chloranyl)phenyl]sulfanyl-3-phenyl-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-[2,6-bis(chloranyl)phenyl]sulfanyl-3-phenyl-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-(2,6-dichlorophenyl)sulfanyl-3-phenyl-1,2,4-triazine-6-carboxylate CAS Name: 5-[(2,6-dichlorophenyl)thio]-3-phenyl-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2,6-dichlorophenyl)sulfanyl-3-phenyl-1,2,4-triazine-6-carboxylate Traditional Name: 5-[(2,6-dichlorophenyl)thio]-3-phenyl-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C18H13Cl2N3O2S MolecularWeight: 406.28572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)SC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)C2=CC=CC=C2)SC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C18H13Cl2N3O2S/c1-2-25-18(24)14-17(26-15-12(19)9-6-10-13(15)20)21-16(23-22-14)11-7-4-3-5-8-11/h3-10H,2H2,1H3