4-[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]benzenecarbonitrile

Systemtic Name: 4-[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]benzenecarbonitrile Openeye Name: 4-[1-[[5-(methylsulfanylmethyl)-2-furyl]methylamino]ethyl]benzonitrile CAS Name: 4-[1-[[5-[(methylthio)methyl]-2-furanyl]methylamino]ethyl]benzonitrile IUPAC Name: 4-[1-[[5-(methylsulfanylmethyl)furan-2-yl]methylamino]ethyl]benzonitrile Traditional Name: 4-[1-[[5-[(methylthio)methyl]-2-furyl]methylamino]ethyl]benzonitrile Formula: C16H18N2OS MolecularWeight: 286.39192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)NCC2=CC=C(O2)CSC

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NCC2=CC=C(O2)CSC

InChI

InChI=1S/C16H18N2OS/c1-12(14-5-3-13(9-17)4-6-14)18-10-15-7-8-16(19-15)11-20-2/h3-8,12,18H,10-11H2,1-2H3