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

Systemtic Name: [5-(2-nitrophenyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [5-(2-nitrophenyl)-2-furyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione CAS Name: [5-(2-nitrophenyl)-2-furanyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(2-nitrophenyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [5-(2-nitrophenyl)-2-furyl]-[4-(4-nitrophenyl)piperazino]methanethione Formula: C21H18N4O5S MolecularWeight: 438.45642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N4O5S/c26-24(27)16-7-5-15(6-8-16)22-11-13-23(14-12-22)21(31)20-10-9-19(30-20)17-3-1-2-4-18(17)25(28)29/h1-10H,11-14H2