N-butan-2-yl-2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-butan-2-yl-2-[[5-[(4-chloranyl-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-butan-2-yl-2-[[5-[(4-chloro-3-methylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(4-chloro-3-methyl-phenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-sec-butyl-acetamide Formula: C16H21ClN4O2S MolecularWeight: 368.88154

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NNC(=N1)COC2=CC(=C(C=C2)Cl)C

Isomeric SMILES

CCC(C)NC(=O)CSC1=NNC(=N1)COC2=CC(=C(C=C2)Cl)C

InChI

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