N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]ethanamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]acetamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl]acetamide Traditional Name: N-homoveratryl-2-[[2-[2-(1H-indol-3-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-yl]thio]acetamide Formula: C31H30N6O3S MolecularWeight: 566.6733

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=CNC6=CC=CC=C65)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CSC2=NC3=CC=CC=C3C4=NC(=NN42)CCC5=CNC6=CC=CC=C65)OC

InChI

InChI=1S/C31H30N6O3S/c1-39-26-13-11-20(17-27(26)40-2)15-16-32-29(38)19-41-31-34-25-10-6-4-8-23(25)30-35-28(36-37(30)31)14-12-21-18-33-24-9-5-3-7-22(21)24/h3-11,13,17-18,33H,12,14-16,19H2,1-2H3,(H,32,38)