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

Systemtic Name: [5-(2-chloranyl-4-nitro-phenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione Openeye Name: [5-(2-chloro-4-nitro-phenyl)-2-furyl]-[4-(o-tolyl)piperazin-1-yl]methanethione CAS Name: [5-(2-chloro-4-nitrophenyl)-2-furanyl]-[4-(2-methylphenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(2-chloro-4-nitrophenyl)furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanethione Traditional Name: [5-(2-chloro-4-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=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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