2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[3,4,5-tris(bromanyl)-2-methoxy-phenyl]ethanamide Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-(3,4,5-tribromo-2-methoxyphenyl)acetamide Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-N-(3,4,5-tribromo-2-methoxy-phenyl)acetamide Formula: C16H12Br3N5O2S MolecularWeight: 578.07578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1NC(=O)CSC2=NN=NN2C3=CC=CC=C3)Br)Br)Br

Isomeric SMILES

COC1=C(C(=C(C=C1NC(=O)CSC2=NN=NN2C3=CC=CC=C3)Br)Br)Br

InChI

InChI=1S/C16H12Br3N5O2S/c1-26-15-11(7-10(17)13(18)14(15)19)20-12(25)8-27-16-21-22-23-24(16)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,20,25)