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

Systemtic Name: N-butyl-2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-butyl-2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H29ClN4O2S MolecularWeight: 424.98786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4O2S/c1-4-7-12-22-19(26)14-28-20-24-23-18(25(20)15(5-2)6-3)13-27-17-11-9-8-10-16(17)21/h8-11,15H,4-7,12-14H2,1-3H3,(H,22,26)