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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-methyl-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-(4-tert-butylbenzyl)sulfonyl-4-methyl-1,2,4-triazol-3-yl]butylamine Formula: C18H28N4O2S MolecularWeight: 364.50552

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=NN=C(N1C)S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)N

Isomeric SMILES

CCCC(C1=NN=C(N1C)S(=O)(=O)CC2=CC=C(C=C2)C(C)(C)C)N

InChI

InChI=1S/C18H28N4O2S/c1-6-7-15(19)16-20-21-17(22(16)5)25(23,24)12-13-8-10-14(11-9-13)18(2,3)4/h8-11,15H,6-7,12,19H2,1-5H3