(4-chlorophenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione

Systemtic Name: (4-chlorophenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Openeye Name: (4-chlorophenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione CAS Name: (4-chlorophenyl)-[4-(3-nitrophenyl)-1-piperazinyl]methanethione IUPAC Name: (4-chlorophenyl)-[4-(3-nitrophenyl)piperazin-1-yl]methanethione Traditional Name: (4-chlorophenyl)-[4-(3-nitrophenyl)piperazino]methanethione Formula: C17H16ClN3O2S MolecularWeight: 361.84584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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