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

Systemtic Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]propan-1-amine Openeye Name: 1-[4-benzyl-5-(m-tolylmethylsulfonyl)-1,2,4-triazol-3-yl]propan-1-amine CAS Name: 1-[5-[(3-methylphenyl)methylsulfonyl]-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-propanamine IUPAC Name: 1-[4-benzyl-5-[(3-methylphenyl)methylsulfonyl]-1,2,4-triazol-3-yl]propan-1-amine Traditional Name: 1-[4-benzyl-5-(3-methylbenzyl)sulfonyl-1,2,4-triazol-3-yl]propylamine Formula: C20H24N4O2S MolecularWeight: 384.49516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N4O2S/c1-3-18(21)19-22-23-20(24(19)13-16-9-5-4-6-10-16)27(25,26)14-17-11-7-8-15(2)12-17/h4-12,18H,3,13-14,21H2,1-2H3