N,N-dimethyl-3-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylsulfanyl]-2-nitro-aniline

Systemtic Name: N,N-dimethyl-3-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylsulfanyl]-2-nitro-aniline Openeye Name: N,N-dimethyl-3-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylsulfanyl]-2-nitro-aniline CAS Name: N,N-dimethyl-3-[3-(5-methyl-4-phenyl-1-imidazolyl)propylthio]-2-nitroaniline IUPAC Name: N,N-dimethyl-3-[3-(5-methyl-4-phenylimidazol-1-yl)propylsulfanyl]-2-nitroaniline Traditional Name: dimethyl-[3-[3-(5-methyl-4-phenyl-imidazol-1-yl)propylthio]-2-nitro-phenyl]amine Formula: C21H24N4O2S MolecularWeight: 396.50586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1CCCSC2=CC=CC(=C2[N+](=O)[O-])N(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1CCCSC2=CC=CC(=C2[N+](=O)[O-])N(C)C)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O2S/c1-16-20(17-9-5-4-6-10-17)22-15-24(16)13-8-14-28-19-12-7-11-18(23(2)3)21(19)25(26)27/h4-7,9-12,15H,8,13-14H2,1-3H3