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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-methylsulfonyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[4-[(4-methylphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-mesyl-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]butylamine Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1CC2=CC=C(C=C2)C)S(=O)(=O)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1CC2=CC=C(C=C2)C)S(=O)(=O)C)N

InChI

InChI=1S/C15H22N4O2S/c1-4-5-13(16)14-17-18-15(22(3,20)21)19(14)10-12-8-6-11(2)7-9-12/h6-9,13H,4-5,10,16H2,1-3H3