ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate

Systemtic Name: ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-(p-tolyl)-1,2,4-triazine-6-carboxylate CAS Name: 5-[(2-methoxycarbonylphenyl)thio]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(2-methoxycarbonylphenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate Traditional Name: 5-[(2-carbomethoxyphenyl)thio]-3-(p-tolyl)-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H19N3O4S/c1-4-28-21(26)17-19(29-16-8-6-5-7-15(16)20(25)27-3)22-18(24-23-17)14-11-9-13(2)10-12-14/h5-12H,4H2,1-3H3