3-ethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]benzothiazole; 4-methylbenzenesulfonate
Molecular Formula:
C
24
H
22
N
2
O
5
S
2
InChI:
InChI=1/C17H15N2O2S.C7H8O3S/c1-2-18-15-5-3-4-6-16(15)22-17(18)12-9-13-7-10-14(11-8-13)19(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-12H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1/b12-9+;/fC17H15N2O2S.C7H7O3S/qm;-1
InChIKey:
InChIKey=FIJYJSPPNDDTBH-RERPGLIFDM
SMILES:
CC[N+]1=C(SC2=CC=CC=C21)C=CC3=CC=C(C=C3)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-]
Names:
3-ethyl-2-[(E)-2-(4-nitrophenyl)ethenyl]benzothiazole; 4-methylbenzenesulfonate
Registries:
PubChem CID 5341230
PubChem ID 11574461
