[5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-(4-phenylpiperazin-1-yl)methanethione

Systemtic Name: [5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-(4-phenylpiperazin-1-yl)methanethione Openeye Name: [5-(4-chloro-3-nitro-phenyl)-2-furyl]-(4-phenylpiperazin-1-yl)methanethione CAS Name: [5-(4-chloro-3-nitrophenyl)-2-furanyl]-(4-phenyl-1-piperazinyl)methanethione IUPAC Name: [5-(4-chloro-3-nitrophenyl)furan-2-yl]-(4-phenylpiperazin-1-yl)methanethione Traditional Name: [5-(4-chloro-3-nitro-phenyl)-2-furyl]-(4-phenylpiperazino)methanethione Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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