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

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(8-chloranylnaphthalen-1-yl)sulfanylethanoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-[(8-chloro-1-naphthyl)sulfanyl]acetate CAS Name: 2-[(8-chloro-1-naphthalenyl)thio]acetic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(8-chloronaphthalen-1-yl)sulfanylacetate Traditional Name: 2-[(8-chloro-1-naphthyl)thio]acetic acid (1-butyltetrazol-5-yl)methyl ester Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)CSC2=CC=CC3=C2C(=CC=C3)Cl

InChI

InChI=1S/C18H19ClN4O2S/c1-2-3-10-23-16(20-21-22-23)11-25-17(24)12-26-15-9-5-7-13-6-4-8-14(19)18(13)15/h4-9H,2-3,10-12H2,1H3