S-quinolin-8-yl 4-nitrobenzenecarbothioate

Systemtic Name: S-quinolin-8-yl 4-nitrobenzenecarbothioate Openeye Name: S-(8-quinolyl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(8-quinolinyl) ester IUPAC Name: S-quinolin-8-yl 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(8-quinolyl) ester Formula: C16H10N2O3S MolecularWeight: 310.3272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)SC(=O)C3=CC=C(C=C3)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C16H10N2O3S/c19-16(12-6-8-13(9-7-12)18(20)21)22-14-5-1-3-11-4-2-10-17-15(11)14/h1-10H