N-[4-chloranyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-isoquinolin-5-yl-ethanamide

Systemtic Name: N-[4-chloranyl-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-isoquinolin-5-yl-ethanamide Openeye Name: N-[4-chloro-3-(1H-1,2,4-triazol-5-yl)-2-thienyl]-2-(5-isoquinolyl)acetamide CAS Name: N-[4-chloro-3-(1H-1,2,4-triazol-5-yl)-2-thiophenyl]-2-(5-isoquinolinyl)acetamide IUPAC Name: N-[4-chloro-3-(1H-1,2,4-triazol-5-yl)thiophen-2-yl]-2-isoquinolin-5-ylacetamide Traditional Name: N-[4-chloro-3-(1H-1,2,4-triazol-5-yl)-2-thienyl]-2-(5-isoquinolyl)acetamide Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CN=C2)C(=C1)CC(=O)NC3=C(C(=CS3)Cl)C4=NC=NN4

Isomeric SMILES

C1=CC2=C(C=CN=C2)C(=C1)CC(=O)NC3=C(C(=CS3)Cl)C4=NC=NN4

InChI

InChI=1S/C17H12ClN5OS/c18-13-8-25-17(15(13)16-20-9-21-23-16)22-14(24)6-10-2-1-3-11-7-19-5-4-12(10)11/h1-5,7-9H,6H2,(H,22,24)(H,20,21,23)