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

Systemtic Name: 3-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(4-methoxyphenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(4-methoxyphenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C25H20N4O3S2 MolecularWeight: 488.5813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3)CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C25H20N4O3S2/c1-32-19-13-11-18(12-14-19)29-23(15-28-20-9-5-6-10-22(20)34-25(28)31)26-27-24(29)33-16-21(30)17-7-3-2-4-8-17/h2-14H,15-16H2,1H3