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

Systemtic Name: 3-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-(ethylthio)-4-phenethyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(ethylthio)-4-phenethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4OS2/c1-2-26-19-22-21-18(23(19)13-12-15-8-4-3-5-9-15)14-24-16-10-6-7-11-17(16)27-20(24)25/h3-11H,2,12-14H2,1H3