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

Systemtic Name: 1-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(4-chlorobenzoyl)-3-methyl-piperazin-1-yl]-5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]-5-[[5-[(4-fluorophenyl)methyl]-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(4-chlorobenzoyl)-3-methyl-piperazino]-5-[[5-(4-fluorobenzyl)-[1,2,4]triazin[5,6-b]indol-3-yl]thio]pentan-1-one Formula: C33H32ClFN6O2S MolecularWeight: 631.162583

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H32ClFN6O2S/c1-22-20-39(17-18-40(22)32(43)24-11-13-25(34)14-12-24)29(42)8-4-5-19-44-33-36-31-30(37-38-33)27-6-2-3-7-28(27)41(31)21-23-9-15-26(35)16-10-23/h2-3,6-7,9-16,22H,4-5,8,17-21H2,1H3