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

Systemtic Name: 3-[(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[(5-butylsulfanyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(butylthio)-4-methyl-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C15H18N4OS2 MolecularWeight: 334.45962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C)CN2C3=CC=CC=C3SC2=O

Isomeric SMILES

CCCCSC1=NN=C(N1C)CN2C3=CC=CC=C3SC2=O

InChI

InChI=1S/C15H18N4OS2/c1-3-4-9-21-14-17-16-13(18(14)2)10-19-11-7-5-6-8-12(11)22-15(19)20/h5-8H,3-4,9-10H2,1-2H3