3-(quinolin-2-ylsulfanylmethyl)benzenecarbonitrile

Systemtic Name: 3-(quinolin-2-ylsulfanylmethyl)benzenecarbonitrile Openeye Name: 3-(2-quinolylsulfanylmethyl)benzonitrile CAS Name: 3-[(2-quinolinylthio)methyl]benzonitrile IUPAC Name: 3-(quinolin-2-ylsulfanylmethyl)benzonitrile Traditional Name: 3-[(2-quinolylthio)methyl]benzonitrile Formula: C17H12N2S MolecularWeight: 276.35558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H12N2S/c18-11-13-4-3-5-14(10-13)12-20-17-9-8-15-6-1-2-7-16(15)19-17/h1-10H,12H2