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

Systemtic Name: N-[1-[5-(2-chloranylprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-methyl-benzamide Openeye Name: N-[1-[5-(2-chloroallylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-methyl-benzamide CAS Name: N-[1-[5-(2-chloroprop-2-enylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-methylbenzamide IUPAC Name: N-[1-[5-(2-chloroprop-2-enylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]-2-phenylethyl]-4-methylbenzamide Traditional Name: N-[1-[5-(2-chloroallylthio)-4-methyl-1,2,4-triazol-3-yl]-2-phenyl-ethyl]-4-methyl-benzamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C)SCC(=C)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C3=NN=C(N3C)SCC(=C)Cl

InChI

InChI=1S/C22H23ClN4OS/c1-15-9-11-18(12-10-15)21(28)24-19(13-17-7-5-4-6-8-17)20-25-26-22(27(20)3)29-14-16(2)23/h4-12,19H,2,13-14H2,1,3H3,(H,24,28)