3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C19H19N5OS2 MolecularWeight: 397.51706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H19N5OS2/c1-12-6-5-7-13(2)18(12)25-10-16-22-23-19(24(16)20)26-11-17-21-14-8-3-4-9-15(14)27-17/h3-9H,10-11,20H2,1-2H3