2-[3-(2-chloranylprop-2-enylsulfanyl)-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanamide

Systemtic Name: 2-[3-(2-chloranylprop-2-enylsulfanyl)-5-(3-methylphenyl)-1,2,4-triazol-4-yl]ethanamide Openeye Name: 2-[3-(2-chloroallylsulfanyl)-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide CAS Name: 2-[3-(2-chloroprop-2-enylthio)-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide IUPAC Name: 2-[3-(2-chloroprop-2-enylsulfanyl)-5-(3-methylphenyl)-1,2,4-triazol-4-yl]acetamide Traditional Name: 2-[3-(2-chloroallylthio)-5-(m-tolyl)-1,2,4-triazol-4-yl]acetamide Formula: C14H15ClN4OS MolecularWeight: 322.8131

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC(=C)Cl

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2CC(=O)N)SCC(=C)Cl

InChI

InChI=1S/C14H15ClN4OS/c1-9-4-3-5-11(6-9)13-17-18-14(21-8-10(2)15)19(13)7-12(16)20/h3-6H,2,7-8H2,1H3,(H2,16,20)