5-fluoranyl-2-methyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzenecarbonitrile

Systemtic Name: 5-fluoranyl-2-methyl-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)benzenecarbonitrile Openeye Name: 5-fluoro-2-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile CAS Name: 5-fluoro-2-methyl-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]benzonitrile IUPAC Name: 5-fluoro-2-methyl-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]benzonitrile Traditional Name: 5-fluoro-2-methyl-4-[4-(2-thenoyl)piperazino]benzonitrile Formula: C17H16FN3OS MolecularWeight: 329.391843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1C#N)F)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C17H16FN3OS/c1-12-9-15(14(18)10-13(12)11-19)20-4-6-21(7-5-20)17(22)16-3-2-8-23-16/h2-3,8-10H,4-7H2,1H3