764655-44-9
4-((1H-INDOL-3-YLMETHYLENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-((1H-INDOL-3-YLMETHYLENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-((1H-INDOL-3-YLMETHYLENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD05154662
【English Synonyms】
【Formula】
C16 H12 N6 S
【MolWeight】
320.379
【Inchi】
InChI=1S/C16H12N6S/c23-16-21-20-15(14-7-3-4-8-17-14)22(16)19-10-11-9-18-13-6-2-1-5-12(11)13/h1-10,18H,(H,21,23)/b19-10+
【InChIKey】
InChIKey=BVMXNIFZZKJUDU-VXLYETTFSA-N
【SMILES】
c1ccc2c(c1)c(c[nH]2)/C=N/n3c(nnc3S)c4ccccn4
【MOL File】
4-((1H-INDOL-3-YLMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((1H-INDOL-3-YLMETHYLENE)AMINO)-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml