S-[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] 2-nitrobenzenecarbothioate

Systemtic Name: S-[5-[(4-bromanylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] 2-nitrobenzenecarbothioate Openeye Name: S-[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] 2-nitrobenzenecarbothioate CAS Name: 2-nitrobenzenecarbothioic acid S-[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester IUPAC Name: S-[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] 2-nitrobenzenecarbothioate Traditional Name: 2-nitrothiobenzoic acid S-[5-[(4-bromophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl] ester Formula: C22H15BrN4O4S MolecularWeight: 511.3479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SC(=O)C3=CC=CC=C3[N+](=O)[O-])COC4=CC=C(C=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SC(=O)C3=CC=CC=C3[N+](=O)[O-])COC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H15BrN4O4S/c23-15-10-12-17(13-11-15)31-14-20-24-25-22(26(20)16-6-2-1-3-7-16)32-21(28)18-8-4-5-9-19(18)27(29)30/h1-13H,14H2