[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione

Systemtic Name: [5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [5-(4-chloro-2-nitro-phenyl)-2-furyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione CAS Name: [5-(4-chloro-2-nitrophenyl)-2-furanyl]-[4-(3-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(4-chloro-2-nitrophenyl)furan-2-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [5-(4-chloro-2-nitro-phenyl)-2-furyl]-[4-(3-nitrophenyl)piperazino]methanethione Formula: C21H17ClN4O5S MolecularWeight: 472.90148

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=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H17ClN4O5S/c22-14-4-5-17(18(12-14)26(29)30)19-6-7-20(31-19)21(32)24-10-8-23(9-11-24)15-2-1-3-16(13-15)25(27)28/h1-7,12-13H,8-11H2