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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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