(1-phenylpyrazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Openeye Name: (1-phenylpyrazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate CAS Name: 3-(1,3-benzothiazol-2-yl)-2-pyrazinecarboxylic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 3-(1,3-benzothiazol-2-yl)pyrazine-2-carboxylate Traditional Name: 3-(1,3-benzothiazol-2-yl)pyrazinic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C22H15N5O2S MolecularWeight: 413.4518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=NC=CN=C3C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H15N5O2S/c28-22(29-14-15-12-25-27(13-15)16-6-2-1-3-7-16)20-19(23-10-11-24-20)21-26-17-8-4-5-9-18(17)30-21/h1-13H,14H2