N-isoquinolin-5-yl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-isoquinolin-5-yl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(5-isoquinolyl)-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(5-isoquinolinyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-isoquinolin-5-yl-3-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(5-isoquinolyl)-3-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C19H15N5OS MolecularWeight: 361.4203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NN2)C(=O)NC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NN2)C(=O)NC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C19H15N5OS/c25-18(23-17-6-2-5-15-10-20-8-7-16(15)17)14-4-1-3-13(9-14)11-26-19-21-12-22-24-19/h1-10,12H,11H2,(H,23,25)(H,21,22,24)