3-cyano-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinoline-2-thiolate

Systemtic Name: 3-cyano-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinoline-2-thiolate Openeye Name: 3-cyano-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinoline-2-thiolate CAS Name: 3-cyano-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinoline-2-thiolate IUPAC Name: 3-cyano-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinoline-2-thiolate Traditional Name: 3-cyano-4-(4-nitrophenyl)-5,6,7,8-tetrahydroquinoline-2-thiolate Formula: C16H12N3O2S- MolecularWeight: 310.35038

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)[S-])C#N)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)[S-])C#N)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O2S/c17-9-13-15(10-5-7-11(8-6-10)19(20)21)12-3-1-2-4-14(12)18-16(13)22/h5-8H,1-4H2,(H,18,22)/p-1