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

Systemtic Name: 4-chloranyl-3-nitro-N-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl]benzamide Openeye Name: 4-chloro-3-nitro-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide CAS Name: 4-chloro-3-nitro-N-[2-[(1-phenyl-5-tetrazolyl)thio]ethyl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[2-(1-phenyltetrazol-5-yl)sulfanylethyl]benzamide Traditional Name: 4-chloro-3-nitro-N-[2-[(1-phenyltetrazol-5-yl)thio]ethyl]benzamide Formula: C16H13ClN6O3S MolecularWeight: 404.83082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCCNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN6O3S/c17-13-7-6-11(10-14(13)23(25)26)15(24)18-8-9-27-16-19-20-21-22(16)12-4-2-1-3-5-12/h1-7,10H,8-9H2,(H,18,24)