N-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-1,4-dithiepan-6-amine

Systemtic Name: N-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-1,4-dithiepan-6-amine Openeye Name: N-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]-1,4-dithiepan-6-amine CAS Name: N-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-4-pyrazolyl]ethyl]-1,4-dithiepan-6-amine IUPAC Name: N-[(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1,4-dithiepan-6-amine Traditional Name: 1,4-dithiepan-6-yl-[(1S)-1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]amine Formula: C17H22FN3S2 MolecularWeight: 351.505083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)F)C(C)NC3CSCCSC3

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)F)[C@H](C)NC3CSCCSC3

InChI

InChI=1S/C17H22FN3S2/c1-12(20-15-10-22-6-7-23-11-15)17-9-19-21(13(17)2)16-5-3-4-14(18)8-16/h3-5,8-9,12,15,20H,6-7,10-11H2,1-2H3/t12-/m0/s1