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

Systemtic Name: 3-[[4-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-methyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(benzylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H16N4OS2/c1-21-16(11-22-14-9-5-6-10-15(14)25-18(22)23)19-20-17(21)24-12-13-7-3-2-4-8-13/h2-10H,11-12H2,1H3