ethyl 5-azanyl-1-[4-(4-nitrophenyl)sulfanylphenyl]imidazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[4-(4-nitrophenyl)sulfanylphenyl]imidazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[4-(4-nitrophenyl)sulfanylphenyl]imidazole-4-carboxylate CAS Name: 5-amino-1-[4-[(4-nitrophenyl)thio]phenyl]-4-imidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[4-(4-nitrophenyl)sulfanylphenyl]imidazole-4-carboxylate Traditional Name: 5-amino-1-[4-[(4-nitrophenyl)thio]phenyl]imidazole-4-carboxylic acid ethyl ester Formula: C18H16N4O4S MolecularWeight: 384.40904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C=N1)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CCOC(=O)C1=C(N(C=N1)C2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H16N4O4S/c1-2-26-18(23)16-17(19)21(11-20-16)12-3-7-14(8-4-12)27-15-9-5-13(6-10-15)22(24)25/h3-11H,2,19H2,1H3