N-(2-chlorophenyl)-2-[(1-isoquinolin-5-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-(2-chlorophenyl)-2-[(1-isoquinolin-5-yl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: N-(2-chlorophenyl)-2-[1-(5-isoquinolyl)tetrazol-5-yl]sulfanyl-acetamide CAS Name: N-(2-chlorophenyl)-2-[[1-(5-isoquinolinyl)-5-tetrazolyl]thio]acetamide IUPAC Name: N-(2-chlorophenyl)-2-(1-isoquinolin-5-yltetrazol-5-yl)sulfanylacetamide Traditional Name: N-(2-chlorophenyl)-2-[[1-(5-isoquinolyl)tetrazol-5-yl]thio]acetamide Formula: C18H13ClN6OS MolecularWeight: 396.85342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=C3C=CN=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CSC2=NN=NN2C3=CC=CC4=C3C=CN=C4)Cl

InChI

InChI=1S/C18H13ClN6OS/c19-14-5-1-2-6-15(14)21-17(26)11-27-18-22-23-24-25(18)16-7-3-4-12-10-20-9-8-13(12)16/h1-10H,11H2,(H,21,26)