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

Systemtic Name: [5-(3-nitrophenyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [5-(3-nitrophenyl)-2-furyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione CAS Name: [5-(3-nitrophenyl)-2-furanyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(3-nitrophenyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [5-(3-nitrophenyl)-2-furyl]-[4-(4-nitrophenyl)piperazino]methanethione Formula: C21H18N4O5S MolecularWeight: 438.45642

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