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

Systemtic Name: N-(3-ethynylphenyl)-5-nitro-2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]benzamide Openeye Name: N-(3-ethynylphenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanyl-benzamide CAS Name: N-(3-ethynylphenyl)-5-nitro-2-[(1-phenyl-5-tetrazolyl)thio]benzamide IUPAC Name: N-(3-ethynylphenyl)-5-nitro-2-(1-phenyltetrazol-5-yl)sulfanylbenzamide Traditional Name: N-(3-ethynylphenyl)-5-nitro-2-[(1-phenyltetrazol-5-yl)thio]benzamide Formula: C22H14N6O3S MolecularWeight: 442.44996

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H14N6O3S/c1-2-15-7-6-8-16(13-15)23-21(29)19-14-18(28(30)31)11-12-20(19)32-22-24-25-26-27(22)17-9-4-3-5-10-17/h1,3-14H,(H,23,29)