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

Systemtic Name: 3-[(4-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-allylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-phenethyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-phenethyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(allylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1CCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C=CCSC1=NN=C(N1CCC2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C21H20N4OS2/c1-2-14-27-20-23-22-19(24(20)13-12-16-8-4-3-5-9-16)15-25-17-10-6-7-11-18(17)28-21(25)26/h2-11H,1,12-15H2