N-heptan-2-yl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-heptan-2-yl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-methylhexyl)acetamide CAS Name: N-heptan-2-yl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-heptan-2-yl-2-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-(2-methoxyethyl)-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]-N-(1-methylhexyl)acetamide Formula: C21H32N4O2S MolecularWeight: 404.56938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)CSC1=NN=C(N1CCOC)C2=CC(=CC=C2)C

Isomeric SMILES

CCCCCC(C)NC(=O)CSC1=NN=C(N1CCOC)C2=CC(=CC=C2)C

InChI

InChI=1S/C21H32N4O2S/c1-5-6-7-10-17(3)22-19(26)15-28-21-24-23-20(25(21)12-13-27-4)18-11-8-9-16(2)14-18/h8-9,11,14,17H,5-7,10,12-13,15H2,1-4H3,(H,22,26)