[5-(4-bromophenyl)furan-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione

Systemtic Name: [5-(4-bromophenyl)furan-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [5-(4-bromophenyl)-2-furyl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione CAS Name: [5-(4-bromophenyl)-2-furanyl]-[4-(2-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(4-bromophenyl)furan-2-yl]-[4-(2-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [5-(4-bromophenyl)-2-furyl]-[4-(2-nitrophenyl)piperazino]methanethione Formula: C21H18BrN3O3S MolecularWeight: 472.35492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=S)C3=CC=C(O3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2[N+](=O)[O-])C(=S)C3=CC=C(O3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H18BrN3O3S/c22-16-7-5-15(6-8-16)19-9-10-20(28-19)21(29)24-13-11-23(12-14-24)17-3-1-2-4-18(17)25(26)27/h1-10H,11-14H2