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

Systemtic Name: 1-[4-[(4-methylphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[5-methylsulfonyl-4-(p-tolylmethyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[4-[(4-methylphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[4-[(4-methylphenyl)methyl]-5-methylsulfonyl-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[5-mesyl-4-(4-methylbenzyl)-1,2,4-triazol-3-yl]propylamine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-4-12(15)13-16-17-14(21(3,19)20)18(13)9-11-7-5-10(2)6-8-11/h5-8,12H,4,9,15H2,1-3H3