N-butyl-5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-butyl-5-[1-(3-fluoranyl-4-phenyl-phenyl)ethyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-butyl-5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]-1,3,4-thiadiazol-2-amine CAS Name: N-butyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine IUPAC Name: N-butyl-5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3,4-thiadiazol-2-amine Traditional Name: butyl-[5-[1-(3-fluoro-4-phenyl-phenyl)ethyl]-1,3,4-thiadiazol-2-yl]amine Formula: C20H22FN3S MolecularWeight: 355.472183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NN=C(S1)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F

Isomeric SMILES

CCCCNC1=NN=C(S1)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F

InChI

InChI=1S/C20H22FN3S/c1-3-4-12-22-20-24-23-19(25-20)14(2)16-10-11-17(18(21)13-16)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3,(H,22,24)