1-[5-[(4-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine

Systemtic Name: 1-[5-[(4-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[4-isobutyl-5-(p-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(4-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[4-isobutyl-5-(4-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]butylamine Formula: C18H28N4O2S MolecularWeight: 364.50552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC(C)C)S(=O)(=O)CC2=CC=C(C=C2)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC(C)C)S(=O)(=O)CC2=CC=C(C=C2)C)N

InChI

InChI=1S/C18H28N4O2S/c1-5-6-16(19)17-20-21-18(22(17)11-13(2)3)25(23,24)12-15-9-7-14(4)8-10-15/h7-10,13,16H,5-6,11-12,19H2,1-4H3