2-(4-chloranylphenoxy)-2-methyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]propanamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C20H21ClN4O2S MolecularWeight: 416.92434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C(C)(C)OC2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21ClN4O2S/c1-14-22-23-19(28-13-15-7-5-4-6-8-15)25(14)24-18(26)20(2,3)27-17-11-9-16(21)10-12-17/h4-12H,13H2,1-3H3,(H,24,26)