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

Systemtic Name: 3-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-methyl-5-phenacylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-methyl-5-(phenacylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C19H16N4O2S2 MolecularWeight: 396.48594

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C19H16N4O2S2/c1-22-17(11-23-14-9-5-6-10-16(14)27-19(23)25)20-21-18(22)26-12-15(24)13-7-3-2-4-8-13/h2-10H,11-12H2,1H3