5-[3-(2-azanylethylamino)-1-thiophen-3-yl-propyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 5-[3-(2-azanylethylamino)-1-thiophen-3-yl-propyl]-4-chloranyl-3-fluoranyl-6-oxidanylidene-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 5-[3-(2-aminoethylamino)-1-(3-thienyl)propyl]-4-chloro-3-fluoro-6-oxo-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 5-[3-(2-aminoethylamino)-1-(3-thiophenyl)propyl]-4-chloro-3-fluoro-6-oxo-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 5-[3-(2-aminoethylamino)-1-thiophen-3-ylpropyl]-4-chloro-3-fluoro-6-oxocyclohexa-1,3-diene-1-carbonitrile Traditional Name: 5-[3-(2-aminoethylamino)-1-(3-thienyl)propyl]-4-chloro-3-fluoro-6-keto-cyclohexa-1,3-diene-1-carbonitrile Formula: C16H17ClFN3OS MolecularWeight: 353.842083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C(CCNCCN)C2C(=C(C=C(C2=O)C#N)F)Cl

Isomeric SMILES

C1=CSC=C1C(CCNCCN)C2C(=C(C=C(C2=O)C#N)F)Cl

InChI

InChI=1S/C16H17ClFN3OS/c17-15-13(18)7-11(8-20)16(22)14(15)12(1-4-21-5-3-19)10-2-6-23-9-10/h2,6-7,9,12,14,21H,1,3-5,19H2