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

Systemtic Name: 2-(4-chloranylphenoxy)-2-methyl-N-[3-(phenylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]propanamide Openeye Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-chlorophenoxy)-2-methyl-propanamide CAS Name: 2-(4-chlorophenoxy)-2-methyl-N-[3-(phenylmethylthio)-1H-1,2,4-triazol-5-yl]propanamide IUPAC Name: N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2-(4-chlorophenoxy)-2-methylpropanamide Traditional Name: N-[3-(benzylthio)-1H-1,2,4-triazol-5-yl]-2-(4-chlorophenoxy)-2-methyl-propionamide Formula: C19H19ClN4O2S MolecularWeight: 402.89776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1=NC(=NN1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(C(=O)NC1=NC(=NN1)SCC2=CC=CC=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN4O2S/c1-19(2,26-15-10-8-14(20)9-11-15)16(25)21-17-22-18(24-23-17)27-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,21,22,23,24,25)