4-(phenylmethylsulfanyl)quinoline-3-carbonitrile

Systemtic Name: 4-(phenylmethylsulfanyl)quinoline-3-carbonitrile Openeye Name: 4-benzylsulfanylquinoline-3-carbonitrile CAS Name: 4-(phenylmethylthio)-3-quinolinecarbonitrile IUPAC Name: 4-benzylsulfanylquinoline-3-carbonitrile Traditional Name: 4-(benzylthio)quinoline-3-carbonitrile Formula: C17H12N2S MolecularWeight: 276.35558

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=NC3=CC=CC=C32)C#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=NC3=CC=CC=C32)C#N

InChI

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