(3E)-3-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-imino-8-[(2-methylphenoxy)methyl]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Molecular Formula:
C
27
H
25
N
5
O
2
S
InChI:
InChI=1/C27H25N5O2S/c1-17-9-7-8-12-23(17)34-16-24-30-32-25(28)22(26(33)29-27(32)35-24)14-21-13-18(2)31(19(21)3)15-20-10-5-4-6-11-20/h4-14,28H,15-16H2,1-3H3/b22-14+,28-25-
InChIKey:
InChIKey=CSQBVIYGTSZVMY-FULWLJFZBV
SMILES:
CC1=CC=CC=C1OCC2=NN3C(=N)C(=CC4=C(N(C(=C4)C)CC5=CC=CC=C5)C)C(=O)N=C3S2
Names:
(3E)-3-[(1-benzyl-2,5-dimethyl-pyrrol-3-yl)methylidene]-2-imino-8-[(2-methylphenoxy)methyl]-7-thia-1,5,9-triazabicyclo[4.3.0]nona-5,8-dien-4-one
Registries:
PubChem CID 6281399
PubChem ID 11586999
