2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide

Systemtic Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-prop-2-enylsulfanylphenyl)ethanamide Openeye Name: N-(2-allylsulfanylphenyl)-2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]-N-[2-(prop-2-enylthio)phenyl]acetamide IUPAC Name: 2-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-prop-2-enylsulfanylphenyl)acetamide Traditional Name: N-[2-(allylthio)phenyl]-2-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C21H22N4OS2/c1-4-12-27-18-11-6-5-10-17(18)22-19(26)14-28-21-24-23-20(25(21)3)16-9-7-8-15(2)13-16/h4-11,13H,1,12,14H2,2-3H3,(H,22,26)