2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-ethanamide Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-propyl-acetamide CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]-N-propylacetamide IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-propylacetamide Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]-N-propyl-acetamide Formula: C19H27ClN4O2S MolecularWeight: 410.96128

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NN=C(N1C(CC)CC)COC2=CC=CC=C2Cl

Isomeric SMILES

CCCNC(=O)CSC1=NN=C(N1C(CC)CC)COC2=CC=CC=C2Cl

InChI

InChI=1S/C19H27ClN4O2S/c1-4-11-21-18(25)13-27-19-23-22-17(24(19)14(5-2)6-3)12-26-16-10-8-7-9-15(16)20/h7-10,14H,4-6,11-13H2,1-3H3,(H,21,25)