azepan-1-yl-[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]methanone

Systemtic Name: azepan-1-yl-[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]methanone Openeye Name: azepan-1-yl-[4-(3-chlorophenyl)sulfanyl-3-nitro-phenyl]methanone CAS Name: 1-azepanyl-[4-[(3-chlorophenyl)thio]-3-nitrophenyl]methanone IUPAC Name: azepan-1-yl-[4-(3-chlorophenyl)sulfanyl-3-nitrophenyl]methanone Traditional Name: azepan-1-yl-[4-[(3-chlorophenyl)thio]-3-nitro-phenyl]methanone Formula: C19H19ClN2O3S MolecularWeight: 390.88376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H19ClN2O3S/c20-15-6-5-7-16(13-15)26-18-9-8-14(12-17(18)22(24)25)19(23)21-10-3-1-2-4-11-21/h5-9,12-13H,1-4,10-11H2