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

Systemtic Name: 3-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(3-chlorophenyl)-5-phenacylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(3-chlorophenyl)-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C24H17ClN4O2S2 MolecularWeight: 493.00038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CN4C5=CC=CC=C5SC4=O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC(=CC=C3)Cl)CN4C5=CC=CC=C5SC4=O

InChI

InChI=1S/C24H17ClN4O2S2/c25-17-9-6-10-18(13-17)29-22(14-28-19-11-4-5-12-21(19)33-24(28)31)26-27-23(29)32-15-20(30)16-7-2-1-3-8-16/h1-13H,14-15H2