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

Systemtic Name: [5-(3-chlorophenyl)furan-2-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [5-(3-chlorophenyl)-2-furyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione CAS Name: [5-(3-chlorophenyl)-2-furanyl]-[4-(3-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(3-chlorophenyl)furan-2-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [5-(3-chlorophenyl)-2-furyl]-[4-(3-nitrophenyl)piperazino]methanethione Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c22-16-4-1-3-15(13-16)19-7-8-20(28-19)21(29)24-11-9-23(10-12-24)17-5-2-6-18(14-17)25(26)27/h1-8,13-14H,9-12H2