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

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[4-isobutyl-5-(m-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[4-isobutyl-5-(3-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]propylamine Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O2S/c1-5-15(18)16-19-20-17(21(16)10-12(2)3)24(22,23)11-14-8-6-7-13(4)9-14/h6-9,12,15H,5,10-11,18H2,1-4H3