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

Systemtic Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]butan-1-amine Openeye Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]butan-1-amine CAS Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]-1-butanamine IUPAC Name: 1-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-ethyl-1,2,4-triazol-3-yl]butan-1-amine Traditional Name: 1-[5-(4-tert-butylbenzyl)sulfonyl-4-ethyl-1,2,4-triazol-3-yl]butylamine Formula: C19H30N4O2S MolecularWeight: 378.5321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N4O2S/c1-6-8-16(20)17-21-22-18(23(17)7-2)26(24,25)13-14-9-11-15(12-10-14)19(3,4)5/h9-12,16H,6-8,13,20H2,1-5H3