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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-(1,3-benzodioxol-5-yl)-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C21H14N6O5S MolecularWeight: 462.43806

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])SC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H14N6O5S/c28-20(22-13-6-8-17-18(10-13)32-12-31-17)16-11-15(27(29)30)7-9-19(16)33-21-23-24-25-26(21)14-4-2-1-3-5-14/h1-11H,12H2,(H,22,28)