2-tert-butyl-1-(1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]guanidine

Systemtic Name: 2-tert-butyl-1-(1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]guanidine Openeye Name: 2-tert-butyl-1-thiazol-2-yl-3-[2-(trifluoromethyl)-4-quinolyl]guanidine CAS Name: 2-tert-butyl-1-(2-thiazolyl)-3-[2-(trifluoromethyl)-4-quinolinyl]guanidine IUPAC Name: 2-tert-butyl-1-(1,3-thiazol-2-yl)-3-[2-(trifluoromethyl)quinolin-4-yl]guanidine Traditional Name: 2-tert-butyl-1-thiazol-2-yl-3-[2-(trifluoromethyl)-4-quinolyl]guanidine Formula: C18H18F3N5S MolecularWeight: 393.42923

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N=C(NC1=CC(=NC2=CC=CC=C21)C(F)(F)F)NC3=NC=CS3

Isomeric SMILES

CC(C)(C)N=C(NC1=CC(=NC2=CC=CC=C21)C(F)(F)F)NC3=NC=CS3

InChI

InChI=1S/C18H18F3N5S/c1-17(2,3)26-15(25-16-22-8-9-27-16)24-13-10-14(18(19,20)21)23-12-7-5-4-6-11(12)13/h4-10H,1-3H3,(H2,22,23,24,25,26)