2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-phenyl-1,2,4-triazol-3-yl]ethanamine

Systemtic Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-phenyl-1,2,4-triazol-3-yl]ethanamine Openeye Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-phenyl-1,2,4-triazol-3-yl]ethanamine CAS Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-phenyl-1,2,4-triazol-3-yl]ethanamine IUPAC Name: 2-[5-[(4-tert-butylphenyl)methylsulfonyl]-4-phenyl-1,2,4-triazol-3-yl]ethanamine Traditional Name: 2-[5-(4-tert-butylbenzyl)sulfonyl-4-phenyl-1,2,4-triazol-3-yl]ethylamine Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C3=CC=CC=C3)CCN

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)C2=NN=C(N2C3=CC=CC=C3)CCN

InChI

InChI=1S/C21H26N4O2S/c1-21(2,3)17-11-9-16(10-12-17)15-28(26,27)20-24-23-19(13-14-22)25(20)18-7-5-4-6-8-18/h4-12H,13-15,22H2,1-3H3