4-[4-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-[4,6-bis(fluoranyl)-1,3-benzothiazol-2-yl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(4,6-difluoro-1,3-benzothiazol-2-yl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(4,6-difluoro-1,3-benzothiazol-2-yl)piperazine-1-carbonyl]benzonitrile Formula: C19H14F2N4OS MolecularWeight: 384.402466

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1C2=NC3=C(C=C(C=C3S2)F)F)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C19H14F2N4OS/c20-14-9-15(21)17-16(10-14)27-19(23-17)25-7-5-24(6-8-25)18(26)13-3-1-12(11-22)2-4-13/h1-4,9-10H,5-8H2