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

Systemtic Name: 3-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-allylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[4-phenyl-5-(prop-2-enylthio)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(4-phenyl-5-prop-2-enylsulfanyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(allylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C19H16N4OS2 MolecularWeight: 380.48654

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

C=CCSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C19H16N4OS2/c1-2-12-25-18-21-20-17(23(18)14-8-4-3-5-9-14)13-22-15-10-6-7-11-16(15)26-19(22)24/h2-11H,1,12-13H2