S-phthalazin-1-yl 3-nitrobenzenecarbothioate

Systemtic Name: S-phthalazin-1-yl 3-nitrobenzenecarbothioate Openeye Name: S-phthalazin-1-yl 3-nitrobenzenecarbothioate CAS Name: 3-nitrobenzenecarbothioic acid S-(1-phthalazinyl) ester IUPAC Name: S-phthalazin-1-yl 3-nitrobenzenecarbothioate Traditional Name: 3-nitrothiobenzoic acid S-phthalazin-1-yl ester Formula: C15H9N3O3S MolecularWeight: 311.31526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NN=C2SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=NN=C2SC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H9N3O3S/c19-15(10-5-3-6-12(8-10)18(20)21)22-14-13-7-2-1-4-11(13)9-16-17-14/h1-9H