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

Systemtic Name: 4-ethoxy-N-[3-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-ethoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-ethoxy-N-[3-[5-(methylthio)-1-tetrazolyl]phenyl]-3-nitrobenzamide IUPAC Name: 4-ethoxy-N-[3-(5-methylsulfanyltetrazol-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-ethoxy-N-[3-[5-(methylthio)tetrazol-1-yl]phenyl]-3-nitro-benzamide Formula: C17H16N6O4S MolecularWeight: 400.41174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C(=NN=N3)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)N3C(=NN=N3)SC)[N+](=O)[O-]

InChI

InChI=1S/C17H16N6O4S/c1-3-27-15-8-7-11(9-14(15)23(25)26)16(24)18-12-5-4-6-13(10-12)22-17(28-2)19-20-21-22/h4-10H,3H2,1-2H3,(H,18,24)