(1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate

Systemtic Name: (1-phenyl-1,2,3,4-tetrazol-5-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (1-phenyltetrazol-5-yl)methyl 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (1-phenyl-5-tetrazolyl)methyl ester IUPAC Name: (1-phenyltetrazol-5-yl)methyl 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (1-phenyltetrazol-5-yl)methyl ester Formula: C20H15ClN4O2S MolecularWeight: 410.8767

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)COC(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

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