[4-(2-cyanophenyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: [4-(2-cyanophenyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: [4-(2-cyanophenyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid [4-(2-cyanophenyl)phenyl]methyl ester IUPAC Name: [4-(2-cyanophenyl)phenyl]methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid [4-(2-cyanophenyl)benzyl] ester Formula: C26H16N4O2S MolecularWeight: 448.49584

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H16N4O2S/c27-15-19-5-1-2-6-20(19)18-11-9-17(10-12-18)16-32-26(31)24-23(28-13-14-29-24)25-30-21-7-3-4-8-22(21)33-25/h1-14H,16H2