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

Systemtic Name: [4-(3-chloranyl-4-methyl-phenyl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanethione Openeye Name: [4-(3-chloro-4-methyl-phenyl)piperazin-1-yl]-[5-(4-nitrophenyl)-2-furyl]methanethione CAS Name: [4-(3-chloro-4-methylphenyl)-1-piperazinyl]-[5-(4-nitrophenyl)-2-furanyl]methanethione IUPAC Name: [4-(3-chloro-4-methylphenyl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanethione Traditional Name: [4-(3-chloro-4-methyl-phenyl)piperazino]-[5-(4-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=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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