2-[[5-[(phenylmethylsulfanyl)methyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[5-[(phenylmethylsulfanyl)methyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzylsulfanylmethyl)-4-(4-isopropylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[5-[(phenylmethylthio)methyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(benzylthio)methyl]-4-p-cumenyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSCC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS2/c1-15(2)17-8-10-18(11-9-17)25-20(23-24-21(25)28-13-19(22)26)14-27-12-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H2,22,26)