3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 4-phenethyl-3-[[2-(p-tolyl)thiazol-4-yl]methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(4-methylphenyl)-4-thiazolyl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 4-phenethyl-3-[[2-(p-tolyl)thiazol-4-yl]methylthio]-1H-1,2,4-triazol-5-one Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS2/c1-15-7-9-17(10-8-15)19-22-18(13-27-19)14-28-21-24-23-20(26)25(21)12-11-16-5-3-2-4-6-16/h2-10,13H,11-12,14H2,1H3,(H,23,26)