6-(phenylmethylsulfanyl)-N-pyrazin-2-yl-pyrazine-2-carboxamide

Systemtic Name: 6-(phenylmethylsulfanyl)-N-pyrazin-2-yl-pyrazine-2-carboxamide Openeye Name: 6-benzylsulfanyl-N-pyrazin-2-yl-pyrazine-2-carboxamide CAS Name: 6-(phenylmethylthio)-N-(2-pyrazinyl)-2-pyrazinecarboxamide IUPAC Name: 6-benzylsulfanyl-N-pyrazin-2-ylpyrazine-2-carboxamide Traditional Name: 6-(benzylthio)-N-pyrazin-2-yl-pyrazinamide Formula: C16H13N5OS MolecularWeight: 323.37232

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)NC3=NC=CN=C3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=CN=C2)C(=O)NC3=NC=CN=C3

InChI

InChI=1S/C16H13N5OS/c22-16(21-14-9-17-6-7-19-14)13-8-18-10-15(20-13)23-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,19,21,22)