S-(3-methylquinoxalin-2-yl) 3-nitrobenzenecarbothioate

Systemtic Name: S-(3-methylquinoxalin-2-yl) 3-nitrobenzenecarbothioate Openeye Name: S-(3-methylquinoxalin-2-yl) 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(3-methyl-2-quinoxalinyl) ester IUPAC Name: S-(3-methylquinoxalin-2-yl) 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-(3-methylquinoxalin-2-yl) ester Formula: C16H11N3O3S MolecularWeight: 325.34184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O3S/c1-10-15(18-14-8-3-2-7-13(14)17-10)23-16(20)11-5-4-6-12(9-11)19(21)22/h2-9H,1H3