3-(4-methylphenyl)sulfonyl-N-pentyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

Systemtic Name: 3-(4-methylphenyl)sulfonyl-N-pentyl-[1,2,3]triazolo[1,5-a]quinazolin-5-amine Openeye Name: N-pentyl-3-(p-tolylsulfonyl)triazolo[1,5-a]quinazolin-5-amine CAS Name: 3-(4-methylphenyl)sulfonyl-N-pentyl-5-triazolo[1,5-a]quinazolinamine IUPAC Name: 3-(4-methylphenyl)sulfonyl-N-pentyltriazolo[1,5-a]quinazolin-5-amine Traditional Name: amyl-(3-tosyltriazolo[1,5-a]quinazolin-5-yl)amine Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCNC1=NC2=C(N=NN2C3=CC=CC=C31)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C21H23N5O2S/c1-3-4-7-14-22-19-17-8-5-6-9-18(17)26-20(23-19)21(24-25-26)29(27,28)16-12-10-15(2)11-13-16/h5-6,8-13H,3-4,7,14H2,1-2H3,(H,22,23)