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

Systemtic Name: [5-(4-chloranyl-3-nitro-phenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione Openeye Name: [5-(4-chloro-3-nitro-phenyl)-2-furyl]-[4-(o-tolyl)piperazin-1-yl]methanethione CAS Name: [5-(4-chloro-3-nitrophenyl)-2-furanyl]-[4-(2-methylphenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(4-chloro-3-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione Traditional Name: [5-(4-chloro-3-nitro-phenyl)-2-furyl]-[4-(o-tolyl)piperazino]methanethione Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H20ClN3O3S/c1-15-4-2-3-5-18(15)24-10-12-25(13-11-24)22(30)21-9-8-20(29-21)16-6-7-17(23)19(14-16)26(27)28/h2-9,14H,10-13H2,1H3