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

Systemtic Name: 3-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-methylsulfanyl-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(2-methylphenyl)-5-(methylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(2-methylphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(methylthio)-4-(o-tolyl)-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:

CC1=CC=CC=C1N2C(=NN=C2SC)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SC)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C18H16N4OS2/c1-12-7-3-4-8-13(12)22-16(19-20-17(22)24-2)11-21-14-9-5-6-10-15(14)25-18(21)23/h3-10H,11H2,1-2H3