N-quinolin-8-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-quinolin-8-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(8-quinolyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-(8-quinolinyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-quinolin-8-yl-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(8-quinolyl)-4-[(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=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4)N=CC=C2

InChI

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