5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-1-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pentan-1-one

Systemtic Name: 5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-1-[3-methyl-4-(4-methylphenyl)carbonyl-piperazin-1-yl]pentan-1-one Openeye Name: 5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-1-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pentan-1-one CAS Name: 5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-[3-methyl-4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]-1-pentanone IUPAC Name: 5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]-1-[3-methyl-4-(4-methylbenzoyl)piperazin-1-yl]pentan-1-one Traditional Name: 5-[[5-(4-fluorobenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]-1-(3-methyl-4-p-toluoyl-piperazino)pentan-1-one Formula: C34H35FN6O2S MolecularWeight: 610.744103

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C(=O)CCCCSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=C(C=C6)F)N=N3

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)C)C(=O)CCCCSC3=NC4=C(C5=CC=CC=C5N4CC6=CC=C(C=C6)F)N=N3

InChI

InChI=1S/C34H35FN6O2S/c1-23-10-14-26(15-11-23)33(43)40-19-18-39(21-24(40)2)30(42)9-5-6-20-44-34-36-32-31(37-38-34)28-7-3-4-8-29(28)41(32)22-25-12-16-27(35)17-13-25/h3-4,7-8,10-17,24H,5-6,9,18-22H2,1-2H3