3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]pyrazine-2-carboxamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]pyrazine-2-carboxamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]pyrazine-2-carboxamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylthio]ethyl]-2-pyrazinecarboxamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]pyrazine-2-carboxamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[2-[(2-fluorobenzyl)thio]ethyl]pyrazinamide Formula: C21H17FN4OS2 MolecularWeight: 424.514283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)F

Isomeric SMILES

C1=CC=C(C(=C1)CSCCNC(=O)C2=NC=CN=C2C3=NC4=CC=CC=C4S3)F

InChI

InChI=1S/C21H17FN4OS2/c22-15-6-2-1-5-14(15)13-28-12-11-25-20(27)18-19(24-10-9-23-18)21-26-16-7-3-4-8-17(16)29-21/h1-10H,11-13H2,(H,25,27)