2,2-difluoro-4-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-12-(thiophen-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

Formula: C19H16BF2N3OS

SMILES: F[B-]1(F)N2C(CCC(=O)NCC#C)=CC=C2C=C2C=CC(C3=CC=CS3)=[N+]12

IUPAC: 2,2-difluoro-4-{2-[(prop-2-yn-1-yl)carbamoyl]ethyl}-12-(thiophen-2-yl)-1??,3-diaza-2-boratricyclo[7.3.0.0³,?]dodeca-1(12),4,6,8,10-pentaen-1-ylium-2-uide

InChI: InChI=1S/C19H16BF2N3OS/c1-2-11-23-19(26)10-8-14-5-6-15-13-16-7-9-17(18-4-3-12-27-18)25(16)20(21,22)24(14)15/h1,3-7,9,12-13H,8,10-11H2,(H,23,26)

Composition: C (59.55%), H (4.21%), B (2.82%), F (9.92%), N (10.97%), O (4.17%), S (8.37%)

Molar Mass: 383.22

Atom Count: 43

Heavy Atom Count: 27