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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=S)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CC=C(O2)C(=S)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

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