1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propan-1-amine

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[4-benzyl-5-[(4-tert-butylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[4-benzyl-5-[(4-tert-butylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[4-benzyl-5-(4-tert-butylbenzyl)sulfonyl-1,2,4-triazol-3-yl]propylamine Formula: C23H30N4O2S MolecularWeight: 426.5749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=NN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C(C)(C)C)N

Isomeric SMILES

CCC(C1=NN=C(N1CC2=CC=CC=C2)S(=O)(=O)CC3=CC=C(C=C3)C(C)(C)C)N

InChI

InChI=1S/C23H30N4O2S/c1-5-20(24)21-25-26-22(27(21)15-17-9-7-6-8-10-17)30(28,29)16-18-11-13-19(14-12-18)23(2,3)4/h6-14,20H,5,15-16,24H2,1-4H3