(1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (1-butyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (1-butyltetrazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (1-butyl-5-tetrazolyl)methyl ester IUPAC Name: (1-butyltetrazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (1-butyltetrazol-5-yl)methyl ester Formula: C20H19N5O2S MolecularWeight: 393.46216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C20H19N5O2S/c1-2-3-12-25-19(22-23-24-25)14-27-20(26)16-9-5-7-11-18(16)28-17-10-6-4-8-15(17)13-21/h4-11H,2-3,12,14H2,1H3