2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl 2-nitrobenzoate

Systemtic Name: 2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl 2-nitrobenzoate Openeye Name: 2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylethyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]ethyl ester IUPAC Name: 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 2-[[1-(1-naphthyl)tetrazol-5-yl]thio]ethyl ester Formula: C20H15N5O4S MolecularWeight: 421.4292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCOC(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCOC(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C20H15N5O4S/c26-19(16-9-3-4-10-18(16)25(27)28)29-12-13-30-20-21-22-23-24(20)17-11-5-7-14-6-1-2-8-15(14)17/h1-11H,12-13H2