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

Systemtic Name: N-[1-[5-(2-chloranylprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methyl-propanamide Openeye Name: N-[1-[5-(2-chloroallylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methyl-propanamide CAS Name: N-[1-[5-(2-chloroprop-2-enylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-2-methylpropanamide IUPAC Name: N-[1-[5-(2-chloroprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-2-methylpropanamide Traditional Name: N-[1-[5-(2-chloroallylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-2-methyl-propionamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C)SCC(=C)Cl

Isomeric SMILES

CC(C)C(=O)NC(CC1=CC=CC=C1)C2=NN=C(N2C)SCC(=C)Cl

InChI

InChI=1S/C18H23ClN4OS/c1-12(2)17(24)20-15(10-14-8-6-5-7-9-14)16-21-22-18(23(16)4)25-11-13(3)19/h5-9,12,15H,3,10-11H2,1-2,4H3,(H,20,24)