(2-methanoyl-4-nitro-phenyl) 4-phenylpiperazine-1-carbodithioate

Systemtic Name: (2-methanoyl-4-nitro-phenyl) 4-phenylpiperazine-1-carbodithioate Openeye Name: (2-formyl-4-nitro-phenyl) 4-phenylpiperazine-1-carbodithioate CAS Name: 4-phenyl-1-piperazinecarbodithioic acid (2-formyl-4-nitrophenyl) ester IUPAC Name: (2-formyl-4-nitrophenyl) 4-phenylpiperazine-1-carbodithioate Traditional Name: 4-phenylpiperazine-1-carbodithioic acid (2-formyl-4-nitro-phenyl) ester Formula: C18H17N3O3S2 MolecularWeight: 387.47588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=S)SC3=C(C=C(C=C3)[N+](=O)[O-])C=O

InChI

InChI=1S/C18H17N3O3S2/c22-13-14-12-16(21(23)24)6-7-17(14)26-18(25)20-10-8-19(9-11-20)15-4-2-1-3-5-15/h1-7,12-13H,8-11H2