2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-pyridine-3-carbonitrile

Systemtic Name: 2-(phenylmethylsulfanyl)-4-pyrrolidin-1-yl-pyridine-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-pyrrolidin-1-yl-pyridine-3-carbonitrile CAS Name: 2-(phenylmethylthio)-4-(1-pyrrolidinyl)-3-pyridinecarbonitrile IUPAC Name: 2-benzylsulfanyl-4-pyrrolidin-1-ylpyridine-3-carbonitrile Traditional Name: 2-(benzylthio)-4-pyrrolidino-nicotinonitrile Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C(=NC=C2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCN(C1)C2=C(C(=NC=C2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C17H17N3S/c18-12-15-16(20-10-4-5-11-20)8-9-19-17(15)21-13-14-6-2-1-3-7-14/h1-3,6-9H,4-5,10-11,13H2