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

Systemtic Name: 3-[[4-(4-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-allylsulfanyl-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-(4-methoxyphenyl)-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[4-(4-methoxyphenyl)-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(allylthio)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C20H18N4O2S2 MolecularWeight: 410.51252

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC=C)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC=C)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H18N4O2S2/c1-3-12-27-19-22-21-18(24(19)14-8-10-15(26-2)11-9-14)13-23-16-6-4-5-7-17(16)28-20(23)25/h3-11H,1,12-13H2,2H3