3-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one

Systemtic Name: 3-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-[(E)-cinnamyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-methyl-5-[[(E)-3-phenylprop-2-enyl]thio]-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-methyl-5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-[[(E)-cinnamyl]thio]-4-methyl-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:

CN1C(=NN=C1SCC=CC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CN1C(=NN=C1SC/C=C/C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H18N4OS2/c1-23-18(14-24-16-11-5-6-12-17(16)27-20(24)25)21-22-19(23)26-13-7-10-15-8-3-2-4-9-15/h2-12H,13-14H2,1H3/b10-7+