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

Systemtic Name: ethyl 3-(4-methylphenyl)-5-phenylsulfanyl-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-phenylsulfanyl-3-(p-tolyl)-1,2,4-triazine-6-carboxylate CAS Name: 3-(4-methylphenyl)-5-(phenylthio)-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-methylphenyl)-5-phenylsulfanyl-1,2,4-triazine-6-carboxylate Traditional Name: 5-(phenylthio)-3-(p-tolyl)-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C19H17N3O2S MolecularWeight: 351.42218

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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=C3

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=N1)C2=CC=C(C=C2)C)SC3=CC=CC=C3

InChI

InChI=1S/C19H17N3O2S/c1-3-24-19(23)16-18(25-15-7-5-4-6-8-15)20-17(22-21-16)14-11-9-13(2)10-12-14/h4-12H,3H2,1-2H3