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

Systemtic Name: 2-[[5-[(4-chloranylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-[(4-chlorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C14H13ClN4O2S MolecularWeight: 336.79662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Cl

Isomeric SMILES

C#CCNC(=O)CSC1=NNC(=N1)COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H13ClN4O2S/c1-2-7-16-13(20)9-22-14-17-12(18-19-14)8-21-11-5-3-10(15)4-6-11/h1,3-6H,7-9H2,(H,16,20)(H,17,18,19)