[4-[(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)-2-cyano-ethenyl]-2-methoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-(4-amino-6-anilino-1,3,5-triazin-2-yl)-2-cyanoethenyl]-2-methoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-(4-amino-6-anilino-s-triazin-2-yl)-2-cyano-vinyl]-2-methoxy-phenyl] ester Formula: C24H18N6O3S MolecularWeight: 470.50312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC(=O)C4=CC=CS4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC(=NC(=N2)NC3=CC=CC=C3)N)OC(=O)C4=CC=CS4

InChI

InChI=1S/C24H18N6O3S/c1-32-19-13-15(9-10-18(19)33-22(31)20-8-5-11-34-20)12-16(14-25)21-28-23(26)30-24(29-21)27-17-6-3-2-4-7-17/h2-13H,1H3,(H3,26,27,28,29,30)/b16-12+