(5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: (5-chloranyl-1,2,3-thiadiazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: (5-chlorothiadiazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid (5-chloro-4-thiadiazolyl)methyl ester IUPAC Name: (5-chlorothiadiazol-4-yl)methyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid (5-chlorothiadiazol-4-yl)methyl ester Formula: C17H10ClN3O2S2 MolecularWeight: 387.8632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=C(SN=N3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=C(SN=N3)Cl

InChI

InChI=1S/C17H10ClN3O2S2/c18-16-13(20-21-25-16)10-23-17(22)12-6-2-4-8-15(12)24-14-7-3-1-5-11(14)9-19/h1-8H,10H2