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

Systemtic Name: 2-[[1-(2-bromanyl-4-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-N-(2-nitrophenyl)ethanamide Openeye Name: 2-[1-(2-bromo-4-methyl-phenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide CAS Name: 2-[[1-(2-bromo-4-methylphenyl)-5-tetrazolyl]thio]-N-(2-nitrophenyl)acetamide IUPAC Name: 2-[1-(2-bromo-4-methylphenyl)tetrazol-5-yl]sulfanyl-N-(2-nitrophenyl)acetamide Traditional Name: 2-[[1-(2-bromo-4-methyl-phenyl)tetrazol-5-yl]thio]-N-(2-nitrophenyl)acetamide Formula: C16H13BrN6O3S MolecularWeight: 449.28182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC(=C(C=C1)N2C(=NN=N2)SCC(=O)NC3=CC=CC=C3[N+](=O)[O-])Br

InChI

InChI=1S/C16H13BrN6O3S/c1-10-6-7-13(11(17)8-10)22-16(19-20-21-22)27-9-15(24)18-12-4-2-3-5-14(12)23(25)26/h2-8H,9H2,1H3,(H,18,24)