3-[[4-(2-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-(2-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(o-tolyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(2-methylphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(2-methylphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(o-tolyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C25H20N4O2S2 MolecularWeight: 472.5819

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C25H20N4O2S2/c1-17-9-5-6-12-19(17)29-23(15-28-20-13-7-8-14-22(20)33-25(28)31)26-27-24(29)32-16-21(30)18-10-3-2-4-11-18/h2-14H,15-16H2,1H3