2-[1-(2-azanylethylamino)-1-thiophen-3-yl-propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile

Systemtic Name: 2-[1-(2-azanylethylamino)-1-thiophen-3-yl-propoxy]-4-chloranyl-5-fluoranyl-benzenecarbonitrile Openeye Name: 2-[1-(2-aminoethylamino)-1-(3-thienyl)propoxy]-4-chloro-5-fluoro-benzonitrile CAS Name: 2-[1-(2-aminoethylamino)-1-(3-thiophenyl)propoxy]-4-chloro-5-fluorobenzonitrile IUPAC Name: 2-[1-(2-aminoethylamino)-1-thiophen-3-ylpropoxy]-4-chloro-5-fluorobenzonitrile Traditional Name: 2-[1-(2-aminoethylamino)-1-(3-thienyl)propoxy]-4-chloro-5-fluoro-benzonitrile Formula: C16H17ClFN3OS MolecularWeight: 353.842083

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CSC=C1)(NCCN)OC2=CC(=C(C=C2C#N)F)Cl

Isomeric SMILES

CCC(C1=CSC=C1)(NCCN)OC2=CC(=C(C=C2C#N)F)Cl

InChI

InChI=1S/C16H17ClFN3OS/c1-2-16(21-5-4-19,12-3-6-23-10-12)22-15-8-13(17)14(18)7-11(15)9-20/h3,6-8,10,21H,2,4-5,19H2,1H3