methyl 4-[[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]methyl]benzoate
Molecular Formula:
C
13
H
13
N
5
O
2
S
InChI:
InChI=1/C13H13N5O2S/c1-20-11(19)10-4-2-9(3-5-10)8-18-12(15)16-17-13(18)21-7-6-14/h2-5H,7-8H2,1H3,(H2,15,16)/f/h15H2
InChIKey:
InChIKey=OJEQSHFAACMTEG-YHSKDTNECF
SMILES:
COC(=O)C1=CC=C(C=C1)CN2C(=NN=C2SCC#N)N
Names:
methyl 4-[[3-amino-5-(cyanomethylsulfanyl)-1,2,4-triazol-4-yl]methyl]benzoate
Registries:
PubChem CID 1650202
PubChem ID 6054138