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

Systemtic Name: 4-[2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzenecarbonitrile Openeye Name: 4-[2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile CAS Name: 4-[2-[(3S)-3-(diethylamino)-1-pyrrolidinyl]-1,3-benzothiazol-6-yl]benzonitrile IUPAC Name: 4-[2-[(3S)-3-(diethylamino)pyrrolidin-1-yl]-1,3-benzothiazol-6-yl]benzonitrile Traditional Name: 4-[2-[(3S)-3-(diethylamino)pyrrolidino]-1,3-benzothiazol-6-yl]benzonitrile Formula: C22H24N4S MolecularWeight: 376.51776

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1CCN(C1)C2=NC3=C(S2)C=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCN(CC)[C@H]1CCN(C1)C2=NC3=C(S2)C=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H24N4S/c1-3-25(4-2)19-11-12-26(15-19)22-24-20-10-9-18(13-21(20)27-22)17-7-5-16(14-23)6-8-17/h5-10,13,19H,3-4,11-12,15H2,1-2H3/t19-/m0/s1