4-[2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzenecarbonitrile

Systemtic Name: 4-[2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzenecarbonitrile Openeye Name: 4-[2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile CAS Name: 4-[2-[(3S)-3-(1-pyrrolidinyl)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]benzonitrile IUPAC Name: 4-[2-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile Traditional Name: 4-[2-[(3S)-3-pyrrolidinopyrrolidino]-1,3-benzothiazol-6-yl]benzonitrile Formula: C22H22N4S MolecularWeight: 374.50188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCN(C1)[C@H]2CCN(C2)C3=NC4=C(S3)C=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C22H22N4S/c23-14-16-3-5-17(6-4-16)18-7-8-20-21(13-18)27-22(24-20)26-12-9-19(15-26)25-10-1-2-11-25/h3-8,13,19H,1-2,9-12,15H2/t19-/m0/s1