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

Systemtic Name: 3-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-(butylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(5-butylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(butylthio)-4-phenyl-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:

CCCCSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C20H20N4OS2/c1-2-3-13-26-19-22-21-18(24(19)15-9-5-4-6-10-15)14-23-16-11-7-8-12-17(16)27-20(23)25/h4-12H,2-3,13-14H2,1H3