500278-32-0
4-[(4-BROMOPHENYL)METHYLIDENEAMINO]-5-PYRIDIN-4-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
Name4-[(4-BROMOPHENYL)METHYLIDENEAMINO]-5-PYRIDIN-4-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
1Identification
【Name】
4-[(4-BROMOPHENYL)METHYLIDENEAMINO]-5-PYRIDIN-4-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE
【CAS】
【MDL】
MFCD03811320
【English Synonyms】
【Formula】
C14 H10 Br N5 S
【MolWeight】
360.238
【Inchi】
InChI=1S/C14H10BrN5S/c15-12-3-1-10(2-4-12)9-17-20-13(18-19-14(20)21)11-5-7-16-8-6-11/h1-9H,(H,19,21)/b17-9+
【InChIKey】
InChIKey=GSWLTRCIPAWNOU-RQZCQDPDSA-N
【SMILES】
c1cc(ccc1/C=N/n2c(n[nH]c2=S)c3ccncc3)Br
【MOL File】
4-[(4-BROMOPHENYL)ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[(4-BROMOPHENYL)METHYLIDENEAMINO]-5-PYRIDIN-4-YL-2H-1,2,4-TRIAZOLE-3(4H)-THIONE.cml