化学式

CAS号

IUPAC Name

1-[7-(2-氯苯基)-13-甲基-3-硫杂-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-基]乙基4-氯化苯甲酸盐 1-[7-(2-chlorophenyl)-13-methyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-4-yl]ethyl 4-chlorobenzoate

InChI

InChI=1S/C24H18Cl2N4O2S/c1-13(32-24(31)15-7-9-16(25)10-8-15)20-11-18-22(17-5-3-4-6-19(17)26)27-12-21-29-28-14(2)30(21)23(18)33-20/h3-11,13H,12H2,1-2H3

InChI Key

JBERHVDHMKRKFG-UHFFFAOYSA-N

Canonical SMILES

CC1=NN=C2N1C3=C(C=C(S3)C(C)OC(=O)C4=CC=C(C=C4)Cl)C(=NC2)C5=CC=CC=C5Cl

别名

• SCHEMBL9838584
• C=1C(C(=NCC2=NN=C(C)N22)C=3C(=CC=CC=3)Cl)=C2SC=1C(C)OC(=O)C1=CC=C(Cl)C=C1