ethyl 1-[4-(diphenylamino)-6-pyrrol-1-yl-1,3,5-triazin-2-yl]-5-methyl-1,2,3-triazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(diphenylamino)-6-pyrrol-1-yl-1,3,5-triazin-2-yl]-5-methyl-1,2,3-triazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-(N-phenylanilino)-6-pyrrol-1-yl-1,3,5-triazin-2-yl]triazole-4-carboxylate CAS Name: 5-methyl-1-[4-(N-phenylanilino)-6-(1-pyrrolyl)-1,3,5-triazin-2-yl]-4-triazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-(N-phenylanilino)-6-pyrrol-1-yl-1,3,5-triazin-2-yl]triazole-4-carboxylate Traditional Name: 5-methyl-1-[4-(N-phenylanilino)-6-pyrrol-1-yl-s-triazin-2-yl]triazole-4-carboxylic acid ethyl ester Formula: C25H22N8O2 MolecularWeight: 466.49458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N3C=CC=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=N1)C2=NC(=NC(=N2)N3C=CC=C3)N(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C25H22N8O2/c1-3-35-22(34)21-18(2)33(30-29-21)25-27-23(31-16-10-11-17-31)26-24(28-25)32(19-12-6-4-7-13-19)20-14-8-5-9-15-20/h4-17H,3H2,1-2H3