(4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanethione

Systemtic Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanethione CAS Name: (4-chlorophenyl)-[4-(4-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: (4-chlorophenyl)-[4-(4-nitrophenyl)piperazino]methanethione Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H16ClN3O2S/c18-14-3-1-13(2-4-14)17(24)20-11-9-19(10-12-20)15-5-7-16(8-6-15)21(22)23/h1-8H,9-12H2