S-(4-bromanyl-5-methyl-2-nitro-thiophen-3-yl) benzenecarbothioate

Systemtic Name: S-(4-bromanyl-5-methyl-2-nitro-thiophen-3-yl) benzenecarbothioate Openeye Name: S-(4-bromo-5-methyl-2-nitro-3-thienyl) benzenecarbothioate CAS Name: benzenecarbothioic acid S-(4-bromo-5-methyl-2-nitro-3-thiophenyl) ester IUPAC Name: S-(4-bromo-5-methyl-2-nitrothiophen-3-yl) benzenecarbothioate Traditional Name: thiobenzoic acid S-(4-bromo-5-methyl-2-nitro-3-thienyl) ester Formula: C12H8BrNO3S2 MolecularWeight: 358.23082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8BrNO3S2/c1-7-9(13)10(11(18-7)14(16)17)19-12(15)8-5-3-2-4-6-8/h2-6H,1H3