2-tert-butyl-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]aniline

Systemtic Name: 2-tert-butyl-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]aniline Openeye Name: 2-tert-butyl-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]aniline CAS Name: 2-tert-butyl-N-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]aniline IUPAC Name: 2-tert-butyl-N-[(5-methylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]aniline Traditional Name: (2-tert-butylphenyl)-[[5-(methylthio)-4-phenyl-1,2,4-triazol-3-yl]methyl]amine Formula: C20H24N4S MolecularWeight: 352.49636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SC

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NCC2=NN=C(N2C3=CC=CC=C3)SC

InChI

InChI=1S/C20H24N4S/c1-20(2,3)16-12-8-9-13-17(16)21-14-18-22-23-19(25-4)24(18)15-10-6-5-7-11-15/h5-13,21H,14H2,1-4H3