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

Systemtic Name: 3-[[5-butylsulfanyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Openeye Name: 3-[[5-butylsulfanyl-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one CAS Name: 3-[[5-(butylthio)-4-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one IUPAC Name: 3-[[5-butylsulfanyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Traditional Name: 3-[[5-(butylthio)-4-(o-tolyl)-1,2,4-triazol-3-yl]methyl]-1,3-benzothiazol-2-one Formula: C21H22N4OS2 MolecularWeight: 410.55558

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(N1C2=CC=CC=C2C)CN3C4=CC=CC=C4SC3=O

Isomeric SMILES

CCCCSC1=NN=C(N1C2=CC=CC=C2C)CN3C4=CC=CC=C4SC3=O

InChI

InChI=1S/C21H22N4OS2/c1-3-4-13-27-20-23-22-19(25(20)16-10-6-5-9-15(16)2)14-24-17-11-7-8-12-18(17)28-21(24)26/h5-12H,3-4,13-14H2,1-2H3