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

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-4-yl]amine Formula: C20H21N5OS2 MolecularWeight: 411.54364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N5OS2/c1-13(2)14-7-9-15(10-8-14)26-11-18-23-24-20(25(18)21)27-12-19-22-16-5-3-4-6-17(16)28-19/h3-10,13H,11-12,21H2,1-2H3