3-[2,5-dimethyl-3-[(Z)-[1-methyl-3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
Molecular Formula:
C
26
H
23
N
3
O
4
S
InChI:
InChI=1/C26H23N3O4S/c1-15-8-10-20(11-9-15)29-24(31)22(23(30)27(4)26(29)34)14-19-12-16(2)28(17(19)3)21-7-5-6-18(13-21)25(32)33/h5-14H,1-4H3,(H,32,33)/b22-14+/f/h32H
InChIKey:
InChIKey=PHVXRQALLGOYIW-KMEPESGZDJ
SMILES:
CC1=CC=C(C=C1)N2C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)O)C)C(=O)N(C2=S)C
Names:
3-[2,5-dimethyl-3-[(Z)-[1-methyl-3-(4-methylphenyl)-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]pyrrol-1-yl]benzoic acid
Registries:
PubChem CID 1820986
PubChem ID 11549056