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

Systemtic Name: 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[2-(3-methoxyphenyl)thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[2-(3-methoxyphenyl)-4-thiazolyl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methylsulfanyl]-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[2-(3-methoxyphenyl)thiazol-4-yl]methylthio]-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC(=CS2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC(=CS2)CSC3=NNC(=O)N3CCC4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S2/c1-27-18-9-5-8-16(12-18)19-22-17(13-28-19)14-29-21-24-23-20(26)25(21)11-10-15-6-3-2-4-7-15/h2-9,12-13H,10-11,14H2,1H3,(H,23,26)