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

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-[(3,5-dimethylphenoxy)methyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-[(3,5-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=CC(=CC(=C1)OCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3)C

Isomeric SMILES

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

InChI

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