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

Systemtic Name: (4-methylpiperazin-1-yl)-[5-(4-nitrophenyl)furan-2-yl]methanethione Openeye Name: (4-methylpiperazin-1-yl)-[5-(4-nitrophenyl)-2-furyl]methanethione CAS Name: (4-methyl-1-piperazinyl)-[5-(4-nitrophenyl)-2-furanyl]methanethione IUPAC Name: (4-methylpiperazin-1-yl)-[5-(4-nitrophenyl)furan-2-yl]methanethione Traditional Name: (4-methylpiperazino)-[5-(4-nitrophenyl)-2-furyl]methanethione Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=S)C2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O3S/c1-17-8-10-18(11-9-17)16(23)15-7-6-14(22-15)12-2-4-13(5-3-12)19(20)21/h2-7H,8-11H2,1H3