N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylsulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(phenylsulfonyl)-[1,2,3]triazolo[1,5-a]quinazolin-5-amine Openeye Name: 3-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazolo[1,5-a]quinazolin-5-amine CAS Name: 3-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-5-triazolo[1,5-a]quinazolinamine IUPAC Name: 3-(benzenesulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]triazolo[1,5-a]quinazolin-5-amine Traditional Name: (3-besyltriazolo[1,5-a]quinazolin-5-yl)-homoveratryl-amine Formula: C25H23N5O4S MolecularWeight: 489.54622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC3=C(N=NN3C4=CC=CC=C42)S(=O)(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H23N5O4S/c1-33-21-13-12-17(16-22(21)34-2)14-15-26-23-19-10-6-7-11-20(19)30-24(27-23)25(28-29-30)35(31,32)18-8-4-3-5-9-18/h3-13,16H,14-15H2,1-2H3,(H,26,27)