4-[[5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one

Systemtic Name: 4-[[5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-[[5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[[5-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-[[5-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[[5-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-6H-1,3,4-thiadiazin-2-yl]amino]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C28H30N6OS MolecularWeight: 498.6424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=NN=C(SC3)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C3=NN=C(SC3)NC4=C(N(N(C4=O)C5=CC=CC=C5)C)C

InChI

InChI=1S/C28H30N6OS/c1-19-17-24(20(2)33(19)16-15-22-11-7-5-8-12-22)25-18-36-28(31-30-25)29-26-21(3)32(4)34(27(26)35)23-13-9-6-10-14-23/h5-14,17H,15-16,18H2,1-4H3,(H,29,31)