5-[4-(azepan-1-yl)-3-nitro-phenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[4-(azepan-1-yl)-3-nitro-phenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[4-(azepan-1-yl)-3-nitro-phenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[4-(1-azepanyl)-3-nitrophenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[4-(azepan-1-yl)-3-nitrophenyl]-N-(4-bromophenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[4-(azepan-1-yl)-3-nitro-phenyl]-1,3,4-thiadiazol-2-yl]-(4-bromophenyl)amine Formula: C20H20BrN5O2S MolecularWeight: 474.3741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NN=C(S3)NC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C3=NN=C(S3)NC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H20BrN5O2S/c21-15-6-8-16(9-7-15)22-20-24-23-19(29-20)14-5-10-17(18(13-14)26(27)28)25-11-3-1-2-4-12-25/h5-10,13H,1-4,11-12H2,(H,22,24)