(2S)-2-(1,3-benzothiazol-2-yl)-2-(3,4-dihydro-2H-pyrrol-5-yl)ethanenitrile

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(3,4-dihydro-2H-pyrrol-5-yl)ethanenitrile Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(3,4-dihydro-2H-pyrrol-5-yl)acetonitrile CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(3,4-dihydro-2H-pyrrol-5-yl)acetonitrile IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(3,4-dihydro-2H-pyrrol-5-yl)acetonitrile Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-(1-pyrrolin-2-yl)acetonitrile Formula: C13H11N3S MolecularWeight: 241.31154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=NC1)C(C#N)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CC(=NC1)[C@@H](C#N)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H11N3S/c14-8-9(10-5-3-7-15-10)13-16-11-4-1-2-6-12(11)17-13/h1-2,4,6,9H,3,5,7H2/t9-/m1/s1