4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-nitro-aniline

Systemtic Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-yl-butan-2-yl]sulfanyl-2-nitro-aniline Openeye Name: 4-[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]sulfanyl-2-nitro-aniline CAS Name: 4-[[4-(4-chlorophenyl)-1-(1-imidazolyl)butan-2-yl]thio]-2-nitroaniline IUPAC Name: 4-[4-(4-chlorophenyl)-1-imidazol-1-ylbutan-2-yl]sulfanyl-2-nitroaniline Traditional Name: [4-[[3-(4-chlorophenyl)-1-(imidazol-1-ylmethyl)propyl]thio]-2-nitro-phenyl]amine Formula: C19H19ClN4O2S MolecularWeight: 402.89776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC(=C(C=C3)N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(CN2C=CN=C2)SC3=CC(=C(C=C3)N)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O2S/c20-15-4-1-14(2-5-15)3-6-17(12-23-10-9-22-13-23)27-16-7-8-18(21)19(11-16)24(25)26/h1-2,4-5,7-11,13,17H,3,6,12,21H2