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

Systemtic Name: 5-nitro-N-(phenylmethyl)-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-benzyl-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: 5-nitro-N-(phenylmethyl)-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-benzyl-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-benzyl-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C21H16N6O3S MolecularWeight: 432.45514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16N6O3S/c28-20(22-14-15-7-3-1-4-8-15)18-13-17(27(29)30)11-12-19(18)31-21-23-24-25-26(21)16-9-5-2-6-10-16/h1-13H,14H2,(H,22,28)