S-(5,5-dimethyl-4H-1,3-thiazol-2-yl) 4-nitrobenzenecarbothioate

Systemtic Name: S-(5,5-dimethyl-4H-1,3-thiazol-2-yl) 4-nitrobenzenecarbothioate Openeye Name: S-(5,5-dimethyl-4H-thiazol-2-yl) 4-nitrobenzenecarbothioate CAS Name: 4-nitrobenzenecarbothioic acid S-(5,5-dimethyl-4H-thiazol-2-yl) ester IUPAC Name: S-(5,5-dimethyl-4H-1,3-thiazol-2-yl) 4-nitrobenzenecarbothioate Traditional Name: 4-nitrothiobenzoic acid S-(5,5-dimethyl-2-thiazolin-2-yl) ester Formula: C12H12N2O3S2 MolecularWeight: 296.36528

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN=C(S1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1(CN=C(S1)SC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C12H12N2O3S2/c1-12(2)7-13-11(19-12)18-10(15)8-3-5-9(6-4-8)14(16)17/h3-6H,7H2,1-2H3