N-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-4-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-4-[(1H-1,2,4-triazol-5-ylthio)methyl]benzamide Formula: C20H20ClN5O2S MolecularWeight: 429.9231

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)Cl)NC(=O)C3=CC=C(C=C3)CSC4=NC=NN4

InChI

InChI=1S/C20H20ClN5O2S/c21-16-5-6-18(26-7-9-28-10-8-26)17(11-16)24-19(27)15-3-1-14(2-4-15)12-29-20-22-13-23-25-20/h1-6,11,13H,7-10,12H2,(H,24,27)(H,22,23,25)