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

Systemtic Name: 3-[(5-methylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-methylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-(methylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(5-methylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(methylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C19H18N4OS2 MolecularWeight: 382.50242

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN=C(N1CCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CSC1=NN=C(N1CCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C19H18N4OS2/c1-25-18-21-20-17(22(18)12-11-14-7-3-2-4-8-14)13-23-15-9-5-6-10-16(15)26-19(23)24/h2-10H,11-13H2,1H3