(3-cyano-3,3-diphenyl-propyl) 4-(3-nitrophenyl)sulfonylpiperazine-1-carbodithioate

Systemtic Name: (3-cyano-3,3-diphenyl-propyl) 4-(3-nitrophenyl)sulfonylpiperazine-1-carbodithioate Openeye Name: (3-cyano-3,3-diphenyl-propyl) 4-(3-nitrophenyl)sulfonylpiperazine-1-carbodithioate CAS Name: 4-(3-nitrophenyl)sulfonyl-1-piperazinecarbodithioic acid (3-cyano-3,3-diphenylpropyl) ester IUPAC Name: (3-cyano-3,3-diphenylpropyl) 4-(3-nitrophenyl)sulfonylpiperazine-1-carbodithioate Traditional Name: 4-(3-nitrophenyl)sulfonylpiperazine-1-carbodithioic acid (3-cyano-3,3-diphenyl-propyl) ester Formula: C27H26N4O4S3 MolecularWeight: 566.71474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=S)SCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H26N4O4S3/c28-21-27(22-8-3-1-4-9-22,23-10-5-2-6-11-23)14-19-37-26(36)29-15-17-30(18-16-29)38(34,35)25-13-7-12-24(20-25)31(32)33/h1-13,20H,14-19H2