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

Systemtic Name: 2-[[5-[(2-chloranylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-ethanamide Openeye Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynyl-acetamide CAS Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-prop-2-ynylacetamide IUPAC Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-ynylacetamide Traditional Name: 2-[[5-[(2-chlorophenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-N-propargyl-acetamide Formula: C20H17ClN4O2S MolecularWeight: 412.89258

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3Cl

Isomeric SMILES

C#CCNC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC=CC=C3Cl

InChI

InChI=1S/C20H17ClN4O2S/c1-2-12-22-19(26)14-28-20-24-23-18(25(20)15-8-4-3-5-9-15)13-27-17-11-7-6-10-16(17)21/h1,3-11H,12-14H2,(H,22,26)