N-[1-[5-(2-chloranylprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]thiophene-2-carboxamide

Systemtic Name: N-[1-[5-(2-chloranylprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]thiophene-2-carboxamide Openeye Name: N-[1-[5-(2-chloroallylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]thiophene-2-carboxamide CAS Name: N-[1-[5-(2-chloroprop-2-enylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-2-thiophenecarboxamide IUPAC Name: N-[1-[5-(2-chloroprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]thiophene-2-carboxamide Traditional Name: N-[1-[5-(2-chloroallylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]thiophene-2-carboxamide Formula: C19H19ClN4OS2 MolecularWeight: 418.96336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=C)Cl)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CN1C(=NN=C1SCC(=C)Cl)C(CC2=CC=CC=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H19ClN4OS2/c1-13(20)12-27-19-23-22-17(24(19)2)15(11-14-7-4-3-5-8-14)21-18(25)16-9-6-10-26-16/h3-10,15H,1,11-12H2,2H3,(H,21,25)