5-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-N-(phenylmethyl)-4H-1,3,4-thiadiazin-2-imine

Systemtic Name: 5-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-N-(phenylmethyl)-4H-1,3,4-thiadiazin-2-imine Openeye Name: N-benzyl-5-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-2-imine CAS Name: 5-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-3-methyl-N-(phenylmethyl)-4H-1,3,4-thiadiazin-2-imine IUPAC Name: N-benzyl-5-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-2-imine Traditional Name: benzyl-[5-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-3-methyl-4H-1,3,4-thiadiazin-2-ylidene]amine Formula: C24H26N4OS MolecularWeight: 418.55444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=NCC4=CC=CC=C4)N(N3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C3=CSC(=NCC4=CC=CC=C4)N(N3)C

InChI

InChI=1S/C24H26N4OS/c1-17-14-22(18(2)28(17)20-10-12-21(29-4)13-11-20)23-16-30-24(27(3)26-23)25-15-19-8-6-5-7-9-19/h5-14,16,26H,15H2,1-4H3