573670-09-4
CINNAMYL 4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE
NameCINNAMYL 4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE
1Identification
【Name】
CINNAMYL 4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE
【CAS】
【MDL】
MFCD04017425
【English Synonyms】
【Formula】
C17 H16 N4 S
【MolWeight】
308.407
【Inchi】
InChI=1S/C17H16N4S/c1-21-16(15-10-5-11-18-13-15)19-20-17(21)22-12-6-9-14-7-3-2-4-8-14/h2-11,13H,12H2,1H3/b9-6+
【InChIKey】
InChIKey=NGNVXKLMUZIYIH-RMKNXTFCSA-N
【SMILES】
Cn1c(nnc1SC/C=C/c2ccccc2)c3cccnc3
【MOL File】
CINNAMYL 4-METHYL-5-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CINNAMYL 4-METHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL SULFIDE.cml