4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine

Systemtic Name: 4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine Openeye Name: 4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiazol-2-amine CAS Name: 4-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-2-thiazolamine IUPAC Name: 4-[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-thiazol-2-amine Traditional Name: [4-[[[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiazol-2-yl]amine Formula: C22H23N5S2 MolecularWeight: 421.58152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CSC(=N4)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CSC(=N4)N

InChI

InChI=1S/C22H23N5S2/c1-22(2,3)16-11-9-15(10-12-16)19-25-26-21(27(19)18-7-5-4-6-8-18)29-14-17-13-28-20(23)24-17/h4-13H,14H2,1-3H3,(H2,23,24)