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

Systemtic Name: 2-[(1-naphthalen-1-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethyl 2-chloranylbenzoate Openeye Name: 2-[1-(1-naphthyl)tetrazol-5-yl]sulfanylethyl 2-chlorobenzoate CAS Name: 2-chlorobenzoic acid 2-[[1-(1-naphthalenyl)-5-tetrazolyl]thio]ethyl ester IUPAC Name: 2-(1-naphthalen-1-yltetrazol-5-yl)sulfanylethyl 2-chlorobenzoate Traditional Name: 2-chlorobenzoic acid 2-[[1-(1-naphthyl)tetrazol-5-yl]thio]ethyl ester Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCOC(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=NN=N3)SCCOC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H15ClN4O2S/c21-17-10-4-3-9-16(17)19(26)27-12-13-28-20-22-23-24-25(20)18-11-5-7-14-6-1-2-8-15(14)18/h1-11H,12-13H2