S-(1,3-benzothiazol-2-yl) 3,5-dinitrobenzenecarbothioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 3,5-dinitrobenzenecarbothioate Openeye Name: S-(1,3-benzothiazol-2-yl) 3,5-dinitrobenzenecarbothioate CAS Name: 3,5-dinitrobenzenecarbothioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 3,5-dinitrobenzenecarbothioate Traditional Name: 3,5-dinitrothiobenzoic acid S-(1,3-benzothiazol-2-yl) ester Formula: C14H7N3O5S2 MolecularWeight: 361.35248

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H7N3O5S2/c18-13(24-14-15-11-3-1-2-4-12(11)23-14)8-5-9(16(19)20)7-10(6-8)17(21)22/h1-7H