2-((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(2-CL-PH)ETHANONE

CAS No.
577765-88-9
CCD No.
CCD00366923
Formula
C21 H14 Br Cl N4 O S
MolWeight
485.792

Basic Information

Product Name: 2-((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(2-CL-PH)ETHANONE
CAS: 577765-88-9
English Synonyms: 2-((4-(4-BR-PH)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-1-(2-CL-PH)ETHANONE
MDL Number.: MFCD03224956
H bond acceptor: 5
H bond donor: 0
Smile: c1ccc(c(c1)C(=O)CSc2nnc(n2c3ccc(cc3)Br)c4cccnc4)Cl
InChi: InChI=1S/C21H14BrClN4OS/c22-15-7-9-16(10-8-15)27-20(14-4-3-11-24-12-14)25-26-21(27)29-13-19(28)17-5-1-2-6-18(17)23/h1-12H,13H2
InChiKey: InChIKey=OBUKJLHJVOFPTE-UHFFFAOYSA-N

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