S-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl] 2-phenylethanethioate

Systemtic Name: S-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl] 2-phenylethanethioate Openeye Name: S-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl] 2-phenylethanethioate CAS Name: 2-phenylethanethioic acid S-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)-2-imidazolyl] ester IUPAC Name: S-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl] 2-phenylethanethioate Traditional Name: 2-phenylethanethioic acid S-[1-(2,4-dimethylphenyl)-4-(4-nitrophenyl)imidazol-2-yl] ester Formula: C25H21N3O3S MolecularWeight: 443.51754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=C(N=C2SC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=C(N=C2SC(=O)CC3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C25H21N3O3S/c1-17-8-13-23(18(2)14-17)27-16-22(20-9-11-21(12-10-20)28(30)31)26-25(27)32-24(29)15-19-6-4-3-5-7-19/h3-14,16H,15H2,1-2H3