5-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-pentanamide

Systemtic Name: 5-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-pentanamide Openeye Name: 5-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-pentanamide CAS Name: 5-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide IUPAC Name: 5-[[5-[(4-bromophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylpentanamide Traditional Name: 5-[[5-(4-bromobenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]-N-homoveratryl-N-methyl-valeramide Formula: C32H34BrN5O3S MolecularWeight: 648.61306

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)Br)N=N2

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)CCCCSC2=NC3=C(C4=CC=CC=C4N3CC5=CC=C(C=C5)Br)N=N2

InChI

InChI=1S/C32H34BrN5O3S/c1-37(18-17-22-13-16-27(40-2)28(20-22)41-3)29(39)10-6-7-19-42-32-34-31-30(35-36-32)25-8-4-5-9-26(25)38(31)21-23-11-14-24(33)15-12-23/h4-5,8-9,11-16,20H,6-7,10,17-19,21H2,1-3H3