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

Systemtic Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-(3,5-dimethoxyphenyl)-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C22H18N6O5S MolecularWeight: 478.48052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4)OC

InChI

InChI=1S/C22H18N6O5S/c1-32-17-10-14(11-18(13-17)33-2)23-21(29)19-12-16(28(30)31)8-9-20(19)34-22-24-25-26-27(22)15-6-4-3-5-7-15/h3-13H,1-2H3,(H,23,29)