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

Systemtic Name: 3-[[4-(2-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[4-(o-tolyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(2-methylphenyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(2-methylphenyl)-5-propylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[4-(o-tolyl)-5-(propylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C20H20N4OS2 MolecularWeight: 396.529

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NN=C(N1C2=CC=CC=C2C)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CCCSC1=NN=C(N1C2=CC=CC=C2C)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H20N4OS2/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/h4-11H,3,12-13H2,1-2H3