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

Systemtic Name: [5-(4-chlorophenyl)furan-2-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [5-(4-chlorophenyl)-2-furyl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione CAS Name: [5-(4-chlorophenyl)-2-furanyl]-[4-(3-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(4-chlorophenyl)furan-2-yl]-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [5-(4-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=C(C=C4)Cl

Isomeric SMILES

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

InChI

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