[5-(4-methylphenyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione

Systemtic Name: [5-(4-methylphenyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: [4-(4-nitrophenyl)piperazin-1-yl]-[5-(p-tolyl)-2-furyl]methanethione CAS Name: [5-(4-methylphenyl)-2-furanyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: [5-(4-methylphenyl)furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: [4-(4-nitrophenyl)piperazino]-[5-(p-tolyl)-2-furyl]methanethione Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O3S/c1-16-2-4-17(5-3-16)20-10-11-21(28-20)22(29)24-14-12-23(13-15-24)18-6-8-19(9-7-18)25(26)27/h2-11H,12-15H2,1H3