3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzoxazol-2-ylmethylthio)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzoxazol-2-ylmethylsulfanyl)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzoxazol-2-ylmethylthio)-5-(4-tert-butylphenyl)-1,2,4-triazol-4-yl]amine Formula: C20H21N5OS MolecularWeight: 379.47864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4O3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2N)SCC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C20H21N5OS/c1-20(2,3)14-10-8-13(9-11-14)18-23-24-19(25(18)21)27-12-17-22-15-6-4-5-7-16(15)26-17/h4-11H,12,21H2,1-3H3