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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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