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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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