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

Systemtic Name: 2-[[4-phenethyl-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzylsulfanylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-phenethyl-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-4-phenethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(benzylthio)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N)CSCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCN2C(=NN=C2SCC(=O)N)CSCC3=CC=CC=C3

InChI

InChI=1S/C20H22N4OS2/c21-18(25)14-27-20-23-22-19(15-26-13-17-9-5-2-6-10-17)24(20)12-11-16-7-3-1-4-8-16/h1-10H,11-15H2,(H2,21,25)