4,6-dimethyl-1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3-carboxamide

Systemtic Name: 4,6-dimethyl-1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]-2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-pyridin-1-ium-3-carboxamide Openeye Name: 4,6-dimethyl-1-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]-2-[2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3-carboxamide CAS Name: 4,6-dimethyl-1-[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]-2-[[2-[(5-methyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-3-pyridin-1-iumcarboxamide IUPAC Name: 4,6-dimethyl-1-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]-2-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]sulfanylpyridin-1-ium-3-carboxamide Traditional Name: 1-[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]-2-[[2-keto-2-[(5-methyl-2-phenyl-pyrazol-3-yl)amino]ethyl]thio]-4,6-dimethyl-pyridin-1-ium-3-carboxamide Formula: C32H33N8O3S+ MolecularWeight: 609.72122

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[N+](C(=C1C(=O)N)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)CC(=O)NC4=CC(=NN4C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=[N+](C(=C1C(=O)N)SCC(=O)NC2=CC(=NN2C3=CC=CC=C3)C)CC(=O)NC4=CC(=NN4C5=CC=CC=C5)C)C

InChI

InChI=1S/C32H32N8O3S/c1-20-15-23(4)38(18-28(41)34-26-16-21(2)36-39(26)24-11-7-5-8-12-24)32(30(20)31(33)43)44-19-29(42)35-27-17-22(3)37-40(27)25-13-9-6-10-14-25/h5-17H,18-19H2,1-4H3,(H3-,33,34,35,36,37,41,42,43)/p+1