573947-36-1
3-(CINNAMYLTHIO)-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-AMINE
Name3-(CINNAMYLTHIO)-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-AMINE
1Identification
【Name】
3-(CINNAMYLTHIO)-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-AMINE
【CAS】
【MDL】
MFCD04021078
【English Synonyms】
【Formula】
C19 H20 N4 O2 S
【MolWeight】
368.459
【Inchi】
InChI=1S/C19H20N4O2S/c1-24-16-11-10-15(13-17(16)25-2)18-21-22-19(23(18)20)26-12-6-9-14-7-4-3-5-8-14/h3-11,13H,12,20H2,1-2H3/b9-6+
【InChIKey】
InChIKey=VPOWLSKEUPDGPU-RMKNXTFCSA-N
【SMILES】
COc1ccc(cc1OC)c2nnc(n2N)SC/C=C/c3ccccc3
【MOL File】
3-(CINNAMYLTHIO)-5-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(CINNAMYLTHIO)-5-(3,4-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOL-4-AMINE.cml