4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanenitrile

Systemtic Name: 4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanenitrile Openeye Name: 4-[4-(2-quinolylmethylsulfanyl)phenoxy]butanenitrile CAS Name: 4-[4-(2-quinolinylmethylthio)phenoxy]butanenitrile IUPAC Name: 4-[4-(quinolin-2-ylmethylsulfanyl)phenoxy]butanenitrile Traditional Name: 4-[4-(2-quinolylmethylthio)phenoxy]butyronitrile Formula: C20H18N2OS MolecularWeight: 334.43472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)CSC3=CC=C(C=C3)OCCCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)CSC3=CC=C(C=C3)OCCCC#N

InChI

InChI=1S/C20H18N2OS/c21-13-3-4-14-23-18-9-11-19(12-10-18)24-15-17-8-7-16-5-1-2-6-20(16)22-17/h1-2,5-12H,3-4,14-15H2