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

Systemtic Name: 1-[5-methylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-(4-benzyl-5-methylsulfonyl-1,2,4-triazol-3-yl)butan-1-amine CAS Name: 1-[5-methylsulfonyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-(4-benzyl-5-methylsulfonyl-1,2,4-triazol-3-yl)butan-1-amine Traditional Name: 1-(4-benzyl-5-mesyl-1,2,4-triazol-3-yl)butylamine Formula: C14H20N4O2S MolecularWeight: 308.3992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O2S/c1-3-7-12(15)13-16-17-14(21(2,19)20)18(13)10-11-8-5-4-6-9-11/h4-6,8-9,12H,3,7,10,15H2,1-2H3