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

Systemtic Name: 3-[[4-(2-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-allylsulfanyl-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(2-methylphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(2-methylphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(allylthio)-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C20H18N4OS2 MolecularWeight: 394.51312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC=C)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC=C)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H18N4OS2/c1-3-12-26-19-22-21-18(24(19)15-9-5-4-8-14(15)2)13-23-16-10-6-7-11-17(16)27-20(23)25/h3-11H,1,12-13H2,2H3