S-(1,3-benzothiazol-2-yl) 2-nitrobenzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 2-nitrobenzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 2-nitrobenzenecarbothioate CAS Name: 2-nitrobenzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 2-nitrobenzenecarbothioate Traditional Name: 2-nitrothiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C14H8N2O3S2 MolecularWeight: 316.35492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)SC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C14H8N2O3S2/c17-13(9-5-1-3-7-11(9)16(18)19)21-14-15-10-6-2-4-8-12(10)20-14/h1-8H