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

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C19H23ClN4O2S MolecularWeight: 406.92952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(=O)NCC#C)COC2=CC=CC=C2Cl

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(=O)NCC#C)COC2=CC=CC=C2Cl

InChI

InChI=1S/C19H23ClN4O2S/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/h1,7-10,14H,5-6,11-13H2,2-3H3,(H,21,25)