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

Systemtic Name: ethyl 5-(4-bromophenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate Openeye Name: ethyl 5-(4-bromophenyl)sulfanyl-3-(p-tolyl)-1,2,4-triazine-6-carboxylate CAS Name: 5-[(4-bromophenyl)thio]-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-bromophenyl)sulfanyl-3-(4-methylphenyl)-1,2,4-triazine-6-carboxylate Traditional Name: 5-[(4-bromophenyl)thio]-3-(p-tolyl)-1,2,4-triazine-6-carboxylic acid ethyl ester Formula: C19H16BrN3O2S MolecularWeight: 430.31824

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrN3O2S/c1-3-25-19(24)16-18(26-15-10-8-14(20)9-11-15)21-17(23-22-16)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3