N-[1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]thian-4-amine

Systemtic Name: N-[1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]thian-4-amine Openeye Name: N-[1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl]tetrahydrothiopyran-4-amine CAS Name: N-[1-[1-(3-fluorophenyl)-5-methyl-4-pyrazolyl]ethyl]-4-thianamine IUPAC Name: N-[1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]thian-4-amine Traditional Name: 1-[1-(3-fluorophenyl)-5-methyl-pyrazol-4-yl]ethyl-tetrahydrothiopyran-4-yl-amine Formula: C17H22FN3S MolecularWeight: 319.440083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=CC=C2)F)C(C)NC3CCSCC3

Isomeric SMILES

CC1=C(C=NN1C2=CC(=CC=C2)F)C(C)NC3CCSCC3

InChI

InChI=1S/C17H22FN3S/c1-12(20-15-6-8-22-9-7-15)17-11-19-21(13(17)2)16-5-3-4-14(18)10-16/h3-5,10-12,15,20H,6-9H2,1-2H3