2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide Openeye Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-propanamide CAS Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-methylpropanamide IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylpropanamide Traditional Name: 2-[[5-(4-methoxyphenyl)-4-phenethyl-1,2,4-triazol-3-yl]thio]-N-methyl-propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC)SC1=NN=C(N1CCC2=CC=CC=C2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-15(20(26)22-2)28-21-24-23-19(17-9-11-18(27-3)12-10-17)25(21)14-13-16-7-5-4-6-8-16/h4-12,15H,13-14H2,1-3H3,(H,22,26)