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

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (1-propyltetrazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (1-propyltetrazol-5-yl)methyl ester Formula: C19H17N5O2S MolecularWeight: 379.43558

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17N5O2S/c1-2-11-24-18(21-22-23-24)13-26-19(25)15-8-4-6-10-17(15)27-16-9-5-3-7-14(16)12-20/h3-10H,2,11,13H2,1H3