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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C)Br

InChI

InChI=1S/C16H13BrN6O3S/c1-9-7-10(3-5-13(9)17)18-15(24)12-8-11(23(25)26)4-6-14(12)27-16-19-20-21-22(16)2/h3-8H,1-2H3,(H,18,24)