5-[(([3-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL)AMINO)CARBONYL]-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE

CAS No.
CCD No.
CCD00055689
Formula
C15 H9 F3 N4 O3 S
MolWeight
382.321

Basic Information

Product Name: 5-[(([3-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL)AMINO)CARBONYL]-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE
English Synonyms: 5-[(([3-(TRIFLUOROMETHYL)ANILINO]CARBOTHIOYL)AMINO)CARBONYL]-2,1,3-BENZOXADIAZOL-1-IUM-1-OLATE
MDL Number.: MFCD00097451
H bond acceptor: 7
H bond donor: 2
Smile: c1cc(cc(c1)NC(=S)NC(=O)c2ccc3c(c2)no[n+]3[O-])C(F)(F)F
InChi: InChI=1S/C15H9F3N4O3S/c16-15(17,18)9-2-1-3-10(7-9)19-14(26)20-13(23)8-4-5-12-11(6-8)21-25-22(12)24/h1-7H,(H2,19,20,23,26)
InChiKey: InChIKey=FADVRQBUWRNKAM-UHFFFAOYSA-N

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