2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-[(2-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C20H22N4O2S MolecularWeight: 382.47928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1OCC2=NC(=NN2)SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O2S/c1-15-7-5-6-10-17(15)26-13-18-22-20(24-23-18)27-14-19(25)21-12-11-16-8-3-2-4-9-16/h2-10H,11-14H2,1H3,(H,21,25)(H,22,23,24)