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

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-[(4-tert-butylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C21H23N5OS2 MolecularWeight: 425.57022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5OS2/c1-21(2,3)14-8-10-15(11-9-14)27-12-18-24-25-20(26(18)22)28-13-19-23-16-6-4-5-7-17(16)29-19/h4-11H,12-13,22H2,1-3H3