3-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-benzothiazol-5-yl]benzenecarbonitrile

Systemtic Name: 3-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-benzothiazol-5-yl]benzenecarbonitrile Openeye Name: 3-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-benzothiazol-5-yl]benzonitrile CAS Name: 3-[2-[2-(2-methyl-1-pyrrolidinyl)ethyl]-1,3-benzothiazol-5-yl]benzonitrile IUPAC Name: 3-[2-[2-(2-methylpyrrolidin-1-yl)ethyl]-1,3-benzothiazol-5-yl]benzonitrile Traditional Name: 3-[2-[2-(2-methylpyrrolidino)ethyl]-1,3-benzothiazol-5-yl]benzonitrile Formula: C21H21N3S MolecularWeight: 347.47654

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN1CCC2=NC3=C(S2)C=CC(=C3)C4=CC=CC(=C4)C#N

Isomeric SMILES

CC1CCCN1CCC2=NC3=C(S2)C=CC(=C3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H21N3S/c1-15-4-3-10-24(15)11-9-21-23-19-13-18(7-8-20(19)25-21)17-6-2-5-16(12-17)14-22/h2,5-8,12-13,15H,3-4,9-11H2,1H3