135521-73-2
4H,5H-(1)BENZOTHIOPYRANO(4,3-B)PYRAN-3-CARBONITRILE, 2-AMINO-4-(1,1'-BIPHENYL)-4-YL-
Name4H,5H-(1)BENZOTHIOPYRANO(4,3-B)PYRAN-3-CARBONITRILE, 2-AMINO-4-(1,1'-BIPHENYL)-4-YL-
1Identification
【Name】
4H,5H-(1)BENZOTHIOPYRANO(4,3-B)PYRAN-3-CARBONITRILE, 2-AMINO-4-(1,1'-BIPHENYL)-4-YL-
【CAS】
【MDL】
MFCD01663728
【English Synonyms】
【Formula】
C25 H18 N2 O S
【MolWeight】
394.496
【Inchi】
InChI=1S/C25H18N2OS/c26-14-20-23(18-12-10-17(11-13-18)16-6-2-1-3-7-16)21-15-29-22-9-5-4-8-19(22)24(21)28-25(20)27/h1-13,23H,15,27H2
【InChIKey】
InChIKey=PAISUVXWMDIBKR-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2ccc(cc2)C3C4=C(c5ccccc5SC4)OC(=C3C#N)N
【MOL File】
4H,5H-(1)BENZOTHIOPY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4H,5H-(1)BENZOTHIOPYRANO(4,3-B)PYRAN-3-CARBONITRILE, 2-AMINO-4-(1,1'-BIPHENYL)-4-YL-.cml