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

Systemtic Name: 3-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C17H14N4OS2 MolecularWeight: 354.44926

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C17H14N4OS2/c1-23-16-19-18-15(21(16)12-7-3-2-4-8-12)11-20-13-9-5-6-10-14(13)24-17(20)22/h2-10H,11H2,1H3