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

Systemtic Name: 3-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(phenacylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C24H18N4O2S2 MolecularWeight: 458.55532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H18N4O2S2/c29-20(17-9-3-1-4-10-17)16-31-23-26-25-22(28(23)18-11-5-2-6-12-18)15-27-19-13-7-8-14-21(19)32-24(27)30/h1-14H,15-16H2