3-tert-butyl-5-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-tert-butyl-5-[[2-(phenylmethyl)-1,3-thiazol-4-yl]methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-[(2-benzylthiazol-4-yl)methylsulfanyl]-5-tert-butyl-1,2,4-triazol-4-amine CAS Name: 3-tert-butyl-5-[[2-(phenylmethyl)-4-thiazolyl]methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-[(2-benzyl-1,3-thiazol-4-yl)methylsulfanyl]-5-tert-butyl-1,2,4-triazol-4-amine Traditional Name: [3-[(2-benzylthiazol-4-yl)methylthio]-5-tert-butyl-1,2,4-triazol-4-yl]amine Formula: C17H21N5S2 MolecularWeight: 359.51214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC2=CSC(=N2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC2=CSC(=N2)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N5S2/c1-17(2,3)15-20-21-16(22(15)18)24-11-13-10-23-14(19-13)9-12-7-5-4-6-8-12/h4-8,10H,9,11,18H2,1-3H3