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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C(=S)C3=CC=C(O3)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

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