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

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-pentan-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-(1-ethylpropyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C(=NN=C1SCC(=O)N)COC2=CC=CC=C2Cl

Isomeric SMILES

CCC(CC)N1C(=NN=C1SCC(=O)N)COC2=CC=CC=C2Cl

InChI

InChI=1S/C16H21ClN4O2S/c1-3-11(4-2)21-15(19-20-16(21)24-10-14(18)22)9-23-13-8-6-5-7-12(13)17/h5-8,11H,3-4,9-10H2,1-2H3,(H2,18,22)